In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 29 | No |
Popular Name: (2S)-N-(4-nitrophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide (2S)-N-(4-nitrophenyl)-2-[(5-oxo…
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) | 2.95 | 9.99 | -20.64 | 2 | 9 | 0 | 126 | 413.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 9.15 | -51.99 | 1 | 9 | -1 | 129 | 412.451 | 8 | ↓ |