In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2014 | 45 | No |
Popular Name: BRD-A65076780-001-02-1 BRD-A65076780-001-02-1
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) | 2.83 | 10.05 | -48.95 | 4 | 10 | 1 | 119 | 612.751 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 8.19 | -11.61 | 3 | 10 | 0 | 118 | 611.743 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.