In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 11 | 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) | -0.88 | 3.04 | -33.11 | 2 | 4 | 0 | 66 | 161.201 | 6 | ↓ |
Hi High (pH 8-9.5) | -0.88 | 1.87 | -44.85 | 1 | 4 | -1 | 61 | 160.193 | 6 | ↓ |