In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2006 | 26 | No |
Popular Name: N-benzyl-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-propanamide N-benzyl-3-[3-(4-methoxyphenyl)-…
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) | 2.39 | 8.84 | -15.28 | 2 | 6 | 0 | 72 | 368.462 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 8.68 | -48.46 | 1 | 6 | -1 | 69 | 367.454 | 7 | ↓ |