UCSF

ZINC66156491

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 38 No

Popular Name: BRD-K57292652-001-02-7 BRD-K57292652-001-02-7

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) 4.79 10.2 -48.41 3 8 1 100 544.738 9 ↓
Hi High (pH 8-9.5) 4.79 9.63 -51.16 1 8 -1 101 542.722 9 ↓
Mid Mid (pH 6-8) 4.79 9.97 -56.57 2 8 0 102 543.73 9 ↓

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

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