In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 30 | 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) | 3.46 | 12.37 | -41.3 | 1 | 6 | 1 | 55 | 422.509 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.46 | 12.04 | -11.71 | 0 | 6 | 0 | 54 | 421.501 | 3 | ↓ |