In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 17 | 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) | 3.15 | 7.87 | -7.34 | 1 | 2 | 0 | 29 | 222.291 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 8.33 | -37.77 | 2 | 2 | 1 | 30 | 223.299 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.