In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 12 | 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 | 2.29 | -94.69 | 5 | 3 | 2 | 54 | 167.256 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 1.93 | -46.65 | 4 | 3 | 1 | 53 | 166.248 | 2 | ↓ |