UCSF

ZINC04205267

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 Yes

Popular Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-1H-pyrazole-4-carboxylic acid 3-(3,4-dihydro-2H-1,5-benzodioxe…

Find On: PubMed — Wikipedia — Google

CAS Number: 926205-57-4

Other Names:

MFCD06660789

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) 1.34 6.26 -51.19 0 6 -1 76 273.268 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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