In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2010 | 36 | 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) | 8.02 | 14.41 | -6.46 | 1 | 7 | 0 | 63 | 489.664 | 7 | ↓ |
Lo Low (pH 4.5-6) | 8.02 | 15.05 | -28.79 | 2 | 7 | 1 | 64 | 490.672 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.