In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 37 | 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) | 4.17 | 10.08 | -58.4 | 2 | 8 | 1 | 83 | 528.695 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.17 | 7.83 | -15.42 | 1 | 8 | 0 | 82 | 527.687 | 15 | ↓ |