In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | 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) | 0.17 | 0.5 | -47.26 | 4 | 5 | 1 | 85 | 249.319 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.17 | -0.87 | -17.85 | 3 | 5 | 0 | 81 | 248.311 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.