In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 19 | No |
Popular Name: BRD-K28228088-001-01-3 BRD-K28228088-001-01-3
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) | -2.06 | 5.37 | -35.08 | 1 | 7 | 0 | 98 | 305.073 | 1 | ↓ |
Hi High (pH 8-9.5) | -2.06 | 6.42 | -41.72 | 0 | 7 | -1 | 100 | 304.065 | 1 | ↓ |
Lo Low (pH 4.5-6) | -1.56 | 4.16 | -48.42 | 1 | 7 | 1 | 87 | 306.081 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.