In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 36 | 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) | 4.15 | 12.87 | -14.43 | 1 | 7 | 0 | 78 | 484.6 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.15 | 13.42 | -37.75 | 2 | 7 | 1 | 80 | 485.608 | 12 | ↓ |