In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 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) | 3.05 | 5.15 | -12.95 | 1 | 4 | 0 | 52 | 295.338 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 5.49 | -29.44 | 2 | 4 | 1 | 53 | 296.346 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.