In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 30 | 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) | 6.93 | 13.15 | -49.22 | 0 | 4 | -1 | 58 | 419.57 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.48 | 14.27 | -11.03 | 1 | 4 | 0 | 55 | 420.578 | 6 | ↓ |