In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 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) | 2.82 | 11.63 | -45.76 | 2 | 6 | 1 | 64 | 401.49 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 11.25 | -28.55 | 1 | 6 | 0 | 63 | 400.482 | 6 | ↓ |