In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 18th, 2006 | 27 | Yes |
Popular Name: N-[3-[2-[[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminophenyl]acetamide N-[3-[2-[[5-(p-tolyl)-4H-1,2,4-t…
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) | 2.87 | 7.36 | -17.07 | 3 | 7 | 0 | 100 | 381.461 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 7.16 | -51.89 | 2 | 7 | -1 | 98 | 380.453 | 6 | ↓ |