In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 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) | 5.18 | 15.5 | -12.27 | 0 | 5 | 0 | 49 | 440.591 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.18 | 15.82 | -34.64 | 1 | 5 | 1 | 51 | 441.599 | 5 | ↓ |