UCSF

ZINC00261272

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 20 Yes

Popular Name: BRD-K82651539-001-01-4 BRD-K82651539-001-01-4

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) 2.46 -0.41 -71.86 1 4 -1 69 268.292 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0043187A1; US4391820; US4540710 IBM Patent Data

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