In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 30 | 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) | 1.18 | -1.8 | -27.93 | 3 | 10 | 0 | 161 | 473.554 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.18 | -1.71 | -57.62 | 2 | 10 | -1 | 163 | 472.546 | 5 | ↓ |