In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 21 | Yes |
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) | 4.26 | 11.92 | -39.46 | 1 | 3 | 1 | 22 | 286.443 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 9.5 | -7.39 | 0 | 3 | 0 | 21 | 285.435 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 10 | -24.69 | 1 | 3 | 1 | 22 | 286.443 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 12.35 | -102.96 | 2 | 3 | 2 | 24 | 287.451 | 7 | ↓ |