UCSF

ZINC66156965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 42 No

Popular Name: BRD-K69017753-001-02-2 BRD-K69017753-001-02-2

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) 2.69 8.23 -118.36 2 12 -1 169 599.686 10 ↓
Hi High (pH 8-9.5) 2.69 5.85 -106.01 1 12 -2 167 598.678 10 ↓
Lo Low (pH 4.5-6) 2.69 8.11 -98.94 3 12 0 167 600.694 10 ↓

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

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