UCSF

ZINC66129545

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 No

Popular Name: BRD-K46903038-001-01-0 BRD-K46903038-001-01-0

Find On: PubMed — Wikipedia — Google

Other Names:

BRD-K46903038-001-02-8

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.12 9.54 -61.05 2 9 0 112 567.708 10 ↓
Hi High (pH 8-9.5) 4.12 7.68 -49.35 1 9 -1 110 566.7 10 ↓
Lo Low (pH 4.5-6) 4.12 9.5 -59.99 3 9 1 110 568.716 10 ↓

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

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