In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2011 | 42 | No |
Popular Name: BRD-K07457697-001-01-6 BRD-K07457697-001-01-6
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) | 4.98 | 13.02 | -55.09 | 3 | 8 | 1 | 93 | 572.726 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.98 | 11.03 | -12.85 | 2 | 8 | 0 | 91 | 571.718 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.