In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2010 | 22 | Yes |
Popular Name: (2R)-N-(4-acetylphenyl)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanamide (2R)-N-(4-acetylphenyl)-2-(3-ami…
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) | 1.25 | 6.8 | -19.47 | 3 | 7 | 0 | 103 | 319.39 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 6.99 | -37.22 | 4 | 7 | 1 | 104 | 320.398 | 5 | ↓ |