In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 13 | 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) | 0.93 | 4.66 | -40.68 | 1 | 3 | 1 | 31 | 182.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 4.42 | -45.22 | 1 | 3 | 1 | 31 | 182.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.93 | 2.25 | -5.41 | 0 | 3 | 0 | 30 | 181.283 | 3 | ↓ |