UCSF

ZINC66156854

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 41 No

Popular Name: BRD-K16004166-001-02-5 BRD-K16004166-001-02-5

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) 5.35 10.65 -59.38 3 8 1 100 625.57 9 ↓
Hi High (pH 8-9.5) 5.35 10.36 -44.94 1 8 -1 101 623.554 9 ↓
Mid Mid (pH 6-8) 5.35 8.82 -16.48 2 8 0 99 624.562 9 ↓
Mid Mid (pH 6-8) 5.35 10.56 -59.59 2 8 0 102 624.562 9 ↓

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

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