In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2009 | 25 | 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) | 4.51 | 12.31 | -33.71 | 1 | 2 | 1 | 8 | 333.499 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.51 | 11.64 | -29.96 | 1 | 2 | 1 | 8 | 333.499 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.51 | 10.05 | -2.93 | 0 | 2 | 0 | 6 | 332.491 | 3 | ↓ |