In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 19 | Yes |
Popular Name: NK-622 NK-622
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) | 3.58 | 10.55 | -35.25 | 1 | 2 | 1 | 22 | 278.441 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.58 | 8.61 | -5.44 | 0 | 2 | 0 | 20 | 277.433 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.