In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 32 | 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) | 5.80 | 14.03 | -53.12 | 1 | 3 | 1 | 25 | 463.52 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.80 | 12.75 | -9.42 | 0 | 3 | 0 | 24 | 462.512 | 6 | ↓ |