In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 20 | 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) | 3.30 | 8.79 | -85.52 | 3 | 3 | 2 | 31 | 271.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 8.36 | -42.93 | 2 | 3 | 1 | 29 | 270.4 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.30 | 6.72 | -26.42 | 2 | 3 | 1 | 29 | 270.4 | 4 | ↓ |