UCSF

ZINC66136637

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 41 No

Popular Name: BRD-K87975735-001-01-4 BRD-K87975735-001-01-4

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) 5.37 10.08 -72.02 3 8 1 100 625.57 9 ↓
Hi High (pH 8-9.5) 5.37 8.12 -53.52 1 8 -1 101 623.554 9 ↓
Mid Mid (pH 6-8) 5.37 8.04 -18.2 2 8 0 99 624.562 9 ↓

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

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