In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 15 | 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) | 1.36 | 0.93 | -9.39 | 4 | 5 | 0 | 88 | 204.233 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 1.39 | -29.5 | 5 | 5 | 1 | 89 | 205.241 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.36 | 1.4 | -32.38 | 5 | 5 | 1 | 89 | 205.241 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.