In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2004 | 29 | Yes |
Popular Name: N-[[5-[[2-keto-2-(m-anisidino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide N-[[5-[[2-keto-2-(m-anisidino)et…
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) | 1.91 | 7.3 | -18.89 | 2 | 8 | 0 | 98 | 411.487 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 3.91 | -42.81 | 3 | 8 | 1 | 107 | 412.495 | 8 | ↓ |