In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
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) | 4.96 | 10.36 | -11.23 | 0 | 5 | 0 | 56 | 426.516 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.96 | 11.1 | -41.55 | 1 | 5 | 1 | 57 | 427.524 | 4 | ↓ |