In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 12 | 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) | 0.75 | 5.43 | -8.29 | 2 | 4 | 0 | 57 | 166.228 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.75 | 6.06 | -28.5 | 3 | 4 | 1 | 58 | 167.236 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.