In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 17 | 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) | 0.47 | 5.05 | -51.87 | 3 | 4 | 1 | 55 | 232.307 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.47 | 3.71 | -8.67 | 2 | 4 | 0 | 50 | 231.299 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.47 | 5.57 | -88.99 | 4 | 4 | 2 | 56 | 233.315 | 6 | ↓ |