In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 18 | No |
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) | 0.40 | -0.15 | -51.04 | 0 | 6 | -1 | 88 | 240.198 | 1 | ↓ |
Lo Low (pH 4.5-6) | -0.05 | 2.52 | -13.39 | 1 | 6 | 0 | 85 | 241.206 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.