In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 2009 | 22 | 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) | 6.75 | 11.25 | -28.02 | 2 | 2 | 1 | 26 | 397.239 | 2 | ↓ |
Hi High (pH 8-9.5) | 6.75 | 10.87 | -9.8 | 1 | 2 | 0 | 25 | 396.231 | 2 | ↓ |