In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 16 | 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) | 2.26 | 5.38 | -29.15 | 3 | 3 | 1 | 44 | 288.209 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.26 | 5.79 | -110.43 | 4 | 3 | 2 | 45 | 289.217 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.