UCSF

ZINC66148978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 No

Popular Name: BRD-K04327812-001-01-4 BRD-K04327812-001-01-4

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) 4.14 9.09 -72.68 2 9 0 112 567.708 10 ↓
Hi High (pH 8-9.5) 4.14 6.75 -53.89 1 9 -1 110 566.7 10 ↓
Mid Mid (pH 6-8) 4.14 8.91 -73.44 3 9 1 110 568.716 10 ↓

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

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