In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 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) | 4.62 | 8.87 | -36.25 | 2 | 1 | 1 | 17 | 226.409 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.62 | 7.58 | -2.34 | 1 | 1 | 0 | 12 | 225.401 | 7 | ↓ |