| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 27 | Yes |
Popular Name: BRD-A47742352-001-01-1 BRD-A47742352-001-01-1
| 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) | 2.13 | 11.68 | -54.34 | 1 | 8 | -1 | 111 | 390.782 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 11.28 | -117.06 | 0 | 8 | -2 | 113 | 389.774 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.13 | 12.22 | -30.13 | 2 | 8 | 0 | 112 | 391.79 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.13 | 10.83 | -70.41 | 3 | 8 | 1 | 113 | 392.798 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
