In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 1st, 2010 | 22 | Yes |
Popular Name: (2R)-2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-(2-ethylphenyl)butanamide (2R)-2-(3-amino-5-methylsulfanyl…
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) | 2.72 | 9.03 | -16.07 | 3 | 6 | 0 | 86 | 319.434 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.72 | 9.2 | -30.41 | 4 | 6 | 1 | 87 | 320.442 | 6 | ↓ |