In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 33 | 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) | 0.89 | 8.4 | -24.09 | 0 | 9 | 0 | 82 | 452.559 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 10.61 | -58.81 | 1 | 9 | 1 | 83 | 453.567 | 6 | ↓ |