In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2010 | 42 | No |
None
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) | 3.64 | 12.61 | -17.56 | 0 | 13 | 0 | 159 | 572.578 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.64 | 14.81 | -56.2 | 1 | 13 | 1 | 161 | 573.586 | 7 | ↓ |