UCSF

ZINC66139028

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 45 No

Popular Name: BRD-K10730000-001-01-3 BRD-K10730000-001-01-3

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) 6.14 13.7 -54.82 3 8 1 100 628.815 10 ↓
Hi High (pH 8-9.5) 6.14 13.58 -60.14 2 8 0 102 627.807 10 ↓
Hi High (pH 8-9.5) 6.14 13.61 -54.1 1 8 -1 101 626.799 10 ↓
Hi High (pH 8-9.5) 6.14 11.79 -19.79 2 8 0 99 627.807 10 ↓

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Rings

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

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