In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2011 | 32 | No |
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) | -0.49 | 8.6 | -61.18 | 2 | 10 | -1 | 135 | 448.406 | 6 | ↓ |
Lo Low (pH 4.5-6) | -0.49 | 6.57 | -14.16 | 3 | 10 | 0 | 132 | 449.414 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.