UCSF

ZINC13282264

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 19 Yes

Popular Name: BRD-K89271983-001-01-5 BRD-K89271983-001-01-5

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) 2.87 6.02 -11.83 1 4 0 51 271.345 3 ↓
Mid Mid (pH 6-8) 2.87 6.5 -28 2 4 1 52 272.353 3 ↓
Mid Mid (pH 6-8) 2.87 6.06 -11.54 1 4 0 51 271.345 3 ↓
Lo Low (pH 4.5-6) 2.87 6.8 -93.6 3 4 2 53 273.361 3 ↓
Lo Low (pH 4.5-6) 2.87 6.37 -34.4 2 4 1 52 272.353 3 ↓

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

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