In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 34 | 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) | 1.86 | 7.93 | -15.41 | 2 | 9 | 0 | 117 | 516.004 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 8.14 | -20.67 | 2 | 9 | 0 | 117 | 516.004 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.