In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 15 | 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) | 0.77 | 1.62 | -37.48 | 4 | 4 | 1 | 68 | 217.333 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.77 | 1.32 | -7.91 | 3 | 4 | 0 | 67 | 216.325 | 8 | ↓ |