In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 30 | 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) | 0.54 | 1.69 | -17.1 | 3 | 9 | 0 | 126 | 426.351 | 6 | ↓ |
Ref Reference (pH 7) | 0.99 | 2.41 | -41.28 | 2 | 9 | -1 | 129 | 425.343 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.