In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 30 | Yes |
None
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) | 2.97 | 4.47 | -18.55 | 2 | 7 | 0 | 89 | 412.396 | 5 | ↓ |
Ref Reference (pH 7) | 2.78 | 7.17 | -15.54 | 2 | 7 | 0 | 85 | 412.396 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.