In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 29th, 2008 | 22 | Yes |
Popular Name: 4-tert-butyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide 4-tert-butyl-N-[2-oxo-2-(thiazol…
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) | 3.06 | 5.97 | -13.12 | 2 | 5 | 0 | 71 | 317.414 | 5 | ↓ |
Popular Name: 4-cyano-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide 4-cyano-N-[2-oxo-2-(thiazol-2-yl…
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) | 1.11 | 3.95 | -15.72 | 2 | 6 | 0 | 95 | 286.316 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 2.8 | -41.76 | 1 | 6 | -1 | 101 | 285.308 | 4 | ↓ |
Popular Name: 4-ethyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide 4-ethyl-N-[2-oxo-2-(thiazol-2-yl…
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) | 2.27 | 5 | -13.75 | 2 | 5 | 0 | 71 | 289.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 3.86 | -43.06 | 1 | 5 | -1 | 77 | 288.352 | 5 | ↓ |
Popular Name: 2,4-dimethyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]benzamide 2,4-dimethyl-N-[2-oxo-2-(thiazol…
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) | 2.18 | 4.92 | -13.57 | 2 | 5 | 0 | 71 | 289.36 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.00 | 3.76 | -43.01 | 1 | 5 | -1 | 77 | 288.352 | 4 | ↓ |
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) | 1.36 | -2.79 | -13.83 | 2 | 5 | 0 | 71 | 261.306 | 4 | ↓ |
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) | 1.76 | -2.53 | -13.2 | 2 | 5 | 0 | 71 | 275.333 | 4 | ↓ |