In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | 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) | 1.91 | 6.77 | -12.15 | 1 | 6 | 0 | 69 | 324.413 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 6.91 | -35.19 | 2 | 6 | 1 | 70 | 325.421 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.