UCSF

ZINC66123565

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 No

Popular Name: BRD-K31715322-001-02-8 BRD-K31715322-001-02-8

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) 2.61 7.9 -60.34 3 9 1 113 539.678 9 ↓
Hi High (pH 8-9.5) 2.61 6.32 -53.84 1 9 -1 114 537.662 9 ↓
Mid Mid (pH 6-8) 2.61 6.46 -18.33 2 9 0 112 538.67 9 ↓

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

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