In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 25 | Yes |
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) | 3.49 | 1.22 | -12.43 | 3 | 6 | 0 | 91 | 406.211 | 3 | ↓ |
Ref Reference (pH 7) | 3.31 | 3.87 | -13.8 | 3 | 6 | 0 | 87 | 406.211 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.