In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 19 | 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) | 2.83 | 8.04 | -81.1 | 3 | 3 | 2 | 34 | 257.381 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 7.61 | -45.38 | 2 | 3 | 1 | 33 | 256.373 | 3 | ↓ |