UCSF

ZINC66128618

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: BRD-K35892311-001-01-6 BRD-K35892311-001-01-6

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 10.35 -61.72 3 8 1 100 625.57 9 ↓
Hi High (pH 8-9.5) 5.35 10.62 -46.94 1 8 -1 101 623.554 9 ↓
Mid Mid (pH 6-8) 5.35 10.09 -65.47 2 8 0 102 624.562 9 ↓
Mid Mid (pH 6-8) 5.35 10.56 -18.83 2 8 0 99 624.562 9 ↓

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Rings

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

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