UCSF

ZINC34926321

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 Yes

Popular Name: 3-[(4-Ethylpiperazin-1-yl)carbonyl]-2,2-dimethylcyclopropanecarboxylic acid 3-[(4-Ethylpiperazin-1-yl)carbon…

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CAS Numbers: , 1142214-57-0

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) 0.84 5.11 -55.43 0 5 -1 64 253.322 3 ↓
Mid Mid (pH 6-8) 0.84 7.32 -71.04 1 5 0 65 254.33 3 ↓
Lo Low (pH 4.5-6) 0.84 5.39 -48.54 2 5 1 62 255.338 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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