In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide (2S)-2-[(4-amino-5-methyl-1,2,4-…
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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) | 0.75 | 5.95 | -20.22 | 3 | 7 | 0 | 110 | 302.363 | 4 | ↓ |