| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2006 | 25 | Yes |
Popular Name: BRD-K40742590-001-01-8 BRD-K40742590-001-01-8
| 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) | 3.32 | 3.9 | -21.89 | 2 | 6 | 0 | 88 | 353.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 2.83 | -59.22 | 1 | 6 | -1 | 91 | 352.395 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 3.62 | -132.15 | 0 | 6 | -2 | 94 | 351.387 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.32 | -5.44 | -53.72 | 3 | 6 | 1 | 89 | 354.411 | 3 | ↓ |
