In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 18 | 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) | 3.57 | 6.49 | -6.38 | 2 | 2 | 0 | 39 | 238.265 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.57 | 6.95 | -35.74 | 3 | 2 | 1 | 40 | 239.273 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.