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) | 3.53 | 8.32 | -12.63 | 0 | 8 | 0 | 98 | 422.437 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.53 | 11.23 | -55.33 | 1 | 8 | 1 | 99 | 423.445 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.