UCSF

ZINC66166681

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 45 No

Popular Name: BRD-K02221587-001-02-2 BRD-K02221587-001-02-2

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) 5.86 13.13 -59.6 3 8 1 100 632.778 10 ↓
Hi High (pH 8-9.5) 5.86 11.56 -48.32 1 8 -1 101 630.762 10 ↓
Hi High (pH 8-9.5) 5.86 11.7 -16.67 2 8 0 99 631.77 10 ↓
Mid Mid (pH 6-8) 5.86 13.39 -57.1 2 8 0 102 631.77 10 ↓

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Rings

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

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