In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 24 | Yes |
Popular Name: 2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone 2-[[4-(4-methoxyphenyl)-1,2,4-tr…
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) | 0.95 | 9.6 | -48.53 | 1 | 7 | 1 | 65 | 348.452 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.95 | 7.25 | -12.32 | 0 | 7 | 0 | 63 | 347.444 | 5 | ↓ |