In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 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) | 4.09 | 14.62 | -56.94 | 2 | 6 | 1 | 68 | 450.632 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.09 | 13.39 | -17.74 | 1 | 6 | 0 | 63 | 449.624 | 9 | ↓ |