In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 24 | 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) | 1.20 | 4.37 | -63.06 | 2 | 9 | -1 | 137 | 366.404 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.65 | 1.91 | -128.1 | 1 | 9 | -2 | 140 | 365.396 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.