In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 29 | 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) | 2.27 | 4.72 | -14.08 | 2 | 7 | 0 | 88 | 421.563 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 6.77 | -51.87 | 3 | 7 | 1 | 89 | 422.571 | 11 | ↓ |