In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 13 | 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) | -0.85 | 4.18 | -36.35 | 2 | 4 | 0 | 70 | 180.207 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.85 | 3.09 | -46.14 | 1 | 4 | -1 | 65 | 179.199 | 4 | ↓ |