In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 7th, 2009 | 31 | 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) | 3.29 | 7.11 | -12.51 | 0 | 7 | 0 | 68 | 440.569 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.29 | 9.45 | -52.08 | 1 | 7 | 1 | 69 | 441.577 | 6 | ↓ |