In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 37 | 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) | 5.20 | 10.54 | -44.48 | 0 | 6 | -1 | 83 | 544.428 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.20 | 10.4 | -12.86 | 1 | 6 | 0 | 81 | 545.436 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.