In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2007 | 31 | No |
Popular Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)-ethanone 2-[[5-benzyl-4-(m-tolyl)-1,2,4-t…
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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) | 4.53 | 11.08 | -15.69 | 2 | 6 | 0 | 88 | 431.517 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.53 | 12 | -49.31 | 1 | 6 | -1 | 91 | 430.509 | 7 | ↓ |