UCSF

ZINC66136544

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 39 No

Popular Name: BRD-K20202514-001-02-8 BRD-K20202514-001-02-8

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) 4.95 10.16 -52.77 3 8 1 100 562.728 9 ↓
Hi High (pH 8-9.5) 4.95 8.82 -45.16 1 8 -1 101 560.712 9 ↓
Mid Mid (pH 6-8) 4.95 10.38 -52.55 2 8 0 102 561.72 9 ↓

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

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