UCSF

ZINC65321234

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 20 No

Popular Name: BRD-K83826408-003-01-5 BRD-K83826408-003-01-5

Find On: PubMed — Wikipedia — Google

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) 2.99 9.23 -22.45 1 4 1 33 269.372 2 ↓
Hi High (pH 8-9.5) 2.99 7.77 -10.89 0 4 0 32 268.364 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 86.5 - 87.5 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

No pre-computed analogs available. Try a structural similarity search.