In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 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) | 2.89 | 8.38 | -34.74 | 1 | 2 | 1 | 22 | 226.365 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 6.6 | -5.98 | 0 | 2 | 0 | 20 | 225.357 | 6 | ↓ |