In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 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) | 1.29 | 6.85 | -41.97 | 2 | 4 | 1 | 42 | 221.328 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.29 | 7.34 | -86.1 | 3 | 4 | 2 | 43 | 222.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.