In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 9th, 2008 | 36 | Yes |
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) | 5.64 | 17.35 | -16.12 | 1 | 7 | 0 | 81 | 497.624 | 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) | 5.40 | 17.12 | -17.35 | 1 | 7 | 0 | 81 | 497.624 | 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) | 5.40 | 17.12 | -17.26 | 1 | 7 | 0 | 81 | 497.624 | 6 | ↓ |
Popular Name: N-benzyl-2-[(2,5-dimethylphenyl)-oxo-BLAHyl]sulfanyl-propanamide N-benzyl-2-[(2,5-dimethylphenyl)…
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) | 5.19 | 1.82 | -16.17 | 1 | 7 | 0 | 81 | 483.597 | 6 | ↓ |
Popular Name: N-benzyl-2-[(2,5-dimethylphenyl)-oxo-BLAHyl]sulfanyl-propanamide N-benzyl-2-[(2,5-dimethylphenyl)…
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) | 5.19 | 1.81 | -16.22 | 1 | 7 | 0 | 81 | 483.597 | 6 | ↓ |
Popular Name: N-benzyl-2-[(2,5-dimethylphenyl)-oxo-BLAHyl]sulfanyl-N-methyl-propanamide N-benzyl-2-[(2,5-dimethylphenyl)…
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) | 5.44 | 3.88 | -17.43 | 0 | 7 | 0 | 72 | 497.624 | 6 | ↓ |
Popular Name: N-benzyl-2-[(2,5-dimethylphenyl)-oxo-BLAHyl]sulfanyl-N-methyl-propanamide N-benzyl-2-[(2,5-dimethylphenyl)…
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) | 5.44 | 3.89 | -17.25 | 0 | 7 | 0 | 72 | 497.624 | 6 | ↓ |