In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 35 | 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) | 7.17 | 16.07 | -36.72 | 1 | 4 | 1 | 32 | 474.665 | 12 | ↓ |
Hi High (pH 8-9.5) | 7.17 | 13.94 | -6.8 | 0 | 4 | 0 | 31 | 473.657 | 12 | ↓ |