In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2009 | 34 | 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) | 1.00 | 6.82 | -19.94 | 1 | 8 | 0 | 82 | 462.55 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.00 | 9.1 | -53.61 | 2 | 8 | 1 | 83 | 463.558 | 6 | ↓ |