UCSF

ZINC11539186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2008 17 Yes

Popular Name: BRD-K00676343-001-01-6 BRD-K00676343-001-01-6

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00192291

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -0.18 7.07 -25.14 0 4 0 68 236.267 2 ↓
Mid Mid (pH 6-8) 0.98 6.65 -55.38 1 4 -1 77 235.259 2 ↓
Mid Mid (pH 6-8) 0.98 7.2 -114.07 0 4 -2 80 234.251 2 ↓
Mid Mid (pH 6-8) 0.40 7.13 -48.28 0 4 -1 74 235.259 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 207.3 - 207.8 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )