In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 2.03 | 7.6 | -103.25 | 4 | 4 | 2 | 58 | 273.38 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.03 | 7.18 | -52.85 | 3 | 4 | 1 | 57 | 272.372 | 4 | ↓ |