In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 31 | 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) | 3.57 | 10.92 | -17.94 | 0 | 5 | 0 | 44 | 443.588 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 12.71 | -61.17 | 1 | 5 | 1 | 45 | 444.596 | 5 | ↓ |