In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2006 | 27 | No |
Popular Name: 2-(3-chlorophenyl)imino-N-methyl-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-N-methyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.48 | -1.62 | -10.57 | 1 | 5 | 0 | 61 | 401.919 | 5 | ↓ |
Popular Name: N-ethyl-4-oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide N-ethyl-4-oxo-3-phenethyl-2-phen…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.20 | 9.98 | -10.71 | 1 | 5 | 0 | 62 | 381.501 | 6 | ↓ |
Popular Name: 2-(3-chlorophenyl)imino-N-ethyl-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-N-ethyl-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.86 | 10.54 | -9.47 | 1 | 5 | 0 | 62 | 415.946 | 6 | ↓ |
Popular Name: N-ethyl-4-oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide N-ethyl-4-oxo-3-phenethyl-2-phen…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.20 | 10.03 | -9.83 | 1 | 5 | 0 | 62 | 381.501 | 6 | ↓ |
Popular Name: 2-(3-chlorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.62 | 8.43 | -11.77 | 2 | 5 | 0 | 76 | 401.919 | 6 | ↓ |
Popular Name: 2-(3-chlorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.62 | 8.31 | -11.81 | 2 | 5 | 0 | 76 | 401.919 | 6 | ↓ |
Popular Name: 2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(4-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.13 | 7.65 | -11.07 | 2 | 5 | 0 | 76 | 387.892 | 5 | ↓ |
Popular Name: 2-(3-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.11 | 7.65 | -11.42 | 2 | 5 | 0 | 76 | 387.892 | 5 | ↓ |
Popular Name: 2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(4-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.13 | 7.54 | -10.82 | 2 | 5 | 0 | 76 | 387.892 | 5 | ↓ |
Popular Name: 2-(3-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-4-oxo-3-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.11 | 7.53 | -11.43 | 2 | 5 | 0 | 76 | 387.892 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.81 | 8.17 | -10.71 | 2 | 5 | 0 | 76 | 422.337 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.81 | 8.06 | -10.36 | 2 | 5 | 0 | 76 | 422.337 | 5 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.83 | 14.54 | -12.29 | 1 | 5 | 0 | 62 | 506.071 | 9 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 5.83 | 14.42 | -12.18 | 1 | 5 | 0 | 62 | 506.071 | 9 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.53 | 11.01 | -10.83 | 1 | 5 | 0 | 62 | 450.391 | 6 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.53 | 11.06 | -9.01 | 1 | 5 | 0 | 62 | 450.391 | 6 | ↓ |