In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | No |
None
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) | 3.84 | 9.15 | -13.4 | 0 | 8 | 0 | 102 | 418.405 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.84 | 12.01 | -54.3 | 1 | 8 | 1 | 103 | 419.413 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.