In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 33 | 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) | 0.94 | 11.24 | -35.11 | 4 | 8 | 1 | 110 | 463.587 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 11.25 | -15.56 | 3 | 8 | 0 | 109 | 462.579 | 8 | ↓ |