In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | 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) | 5.45 | 14.63 | -16.42 | 0 | 4 | 0 | 33 | 460.593 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.45 | 16.5 | -44.31 | 1 | 4 | 1 | 34 | 461.601 | 7 | ↓ |