In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 14th, 2008 | 13 | 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) | 1.49 | 1.89 | -7.55 | 3 | 3 | 0 | 51 | 173.219 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.49 | 2.17 | -29.11 | 4 | 3 | 1 | 52 | 174.227 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.