UCSF

ZINC00952697

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 25 Yes

Popular Name: BRD-A07245644-001-01-1 BRD-A07245644-001-01-1

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) 1.19 6.66 -59.93 2 6 -1 102 357.411 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0593559A1; EP0615751A1; US5472978; WO1993001169A2 IBM Patent Data

Activity (Go SEA)

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