| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 32 | No |
Popular Name: BRD-A45518297-001-01-5 BRD-A45518297-001-01-5
| 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) | 5.12 | 10.72 | -10.86 | 2 | 5 | 0 | 59 | 458.509 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.37 | 8.38 | -44.98 | 1 | 5 | -1 | 69 | 457.501 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 10.2 | -9.11 | 2 | 5 | 0 | 62 | 458.509 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.37 | 9.18 | -34.04 | 2 | 5 | 0 | 70 | 458.509 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
