UCSF

ZINC00261244

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 22 Yes

Popular Name: BRD-A50631555-001-01-5 BRD-A50631555-001-01-5

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) 3.31 10.43 -63.55 1 4 -1 69 296.346 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5965719; US5968907; WO1998022487A1 IBM Patent Data

Activity (Go SEA)

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