UCSF

ZINC66123362

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 47 No

Popular Name: BRD-K95977186-001-01-4 BRD-K95977186-001-01-4

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) 4.25 12.02 -44.43 3 10 1 105 645.821 12 ↓
Hi High (pH 8-9.5) 4.25 11.41 -16.23 2 10 0 104 644.813 12 ↓
Mid Mid (pH 6-8) 4.25 14.29 -87.92 4 10 2 106 646.829 12 ↓

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Rings

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

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