In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 8th, 2009 | 26 | Yes |
Popular Name: (2S)-2-[[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide (2S)-2-[[5-(4-chlorophenyl)-4H-1…
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) | 4.28 | 8.35 | -16.43 | 2 | 6 | 0 | 80 | 388.88 | 6 | ↓ |
Hi High (pH 8-9.5) | 4.28 | 8.25 | -43.51 | 1 | 6 | -1 | 78 | 387.872 | 6 | ↓ |