In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 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) | 1.85 | 8.82 | -49.16 | 0 | 3 | -1 | 57 | 221.276 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 6.84 | -10.4 | 1 | 3 | 0 | 54 | 222.284 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.