In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 22 | 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) | -0.18 | 3.33 | -63.59 | 1 | 10 | -1 | 143 | 321.298 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 0.87 | -123.09 | 0 | 10 | -2 | 146 | 320.29 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.