In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 15th, 2009 | 25 | Yes |
Popular Name: (2S)-N-(4-acetylphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (2S)-N-(4-acetylphenyl)-2-[(4-bu…
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) | 2.52 | 7.5 | -15.14 | 2 | 7 | 0 | 97 | 362.455 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 6.73 | -54.84 | 1 | 7 | -1 | 100 | 361.447 | 8 | ↓ |