In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 12 | 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) | 1.88 | 4.55 | -12.13 | 3 | 3 | 0 | 50 | 179.248 | 3 | ↓ |
Ref Reference (pH 7) | 1.39 | 4.35 | -13.95 | 3 | 3 | 0 | 52 | 179.248 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.