UCSF

ZINC34926316

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 Yes

Popular Name: 2,2-dimethyl-3-[(4-methylpiperazin-1-yl)carbonyl]cyclopropanecarboxylic acid 2,2-dimethyl-3-[(4-methylpiperaz…

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CAS Numbers: 1142214-55-8 , 1820575-55-0 , [1142214-55-8]

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) 0.47 4.49 -43.37 0 5 -1 64 239.295 2 ↓
Mid Mid (pH 6-8) 0.47 6.82 -63.31 1 5 0 65 240.303 2 ↓
Lo Low (pH 4.5-6) 0.47 4.93 -42.6 2 5 1 62 241.311 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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