In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 11th, 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) | 3.98 | 11.3 | -37.15 | 1 | 7 | 1 | 69 | 462.014 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.98 | 10.93 | -11.06 | 0 | 7 | 0 | 68 | 461.006 | 8 | ↓ |