In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 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) | 1.04 | 7.49 | -50.8 | 2 | 9 | 1 | 92 | 463.647 | 14 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 9.75 | -90.32 | 3 | 9 | 2 | 93 | 464.655 | 14 | ↓ |