In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 40 | 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) | 8.79 | 15.66 | -51.84 | 1 | 7 | -1 | 98 | 586.892 | 5 | ↓ |
Lo Low (pH 4.5-6) | 8.79 | 15.64 | -19.28 | 2 | 7 | 0 | 96 | 587.9 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.