In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 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) | 2.70 | 3.21 | -44.43 | 3 | 4 | 1 | 55 | 236.291 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 3.87 | -33.09 | 2 | 4 | 0 | 58 | 235.283 | 3 | ↓ |