In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 22 | Yes |
None
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) | -1.12 | -1.11 | -12.02 | 4 | 6 | 0 | 99 | 300.314 | 1 | ↓ |
Lo Low (pH 4.5-6) | -1.12 | -0.67 | -31.25 | 5 | 6 | 1 | 100 | 301.322 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.