In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2011 | 25 | 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) | 2.73 | 7.39 | -10.33 | 0 | 4 | 0 | 27 | 369.481 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 9.52 | -37.77 | 1 | 4 | 1 | 28 | 370.489 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.