In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 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) | 3.75 | 12.84 | -15.98 | 2 | 8 | 0 | 90 | 433.512 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.93 | 13.38 | -57.14 | 3 | 8 | 1 | 95 | 434.52 | 7 | ↓ |