UCSF

ZINC19735144

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 18 Yes

Popular Name: cyclohexanecarboxylic acid, 2-[(4-methyl-1-piperazinyl)carbonyl]- cyclohexanecarboxylic acid, 2-[(…

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CAS Number: 331947-27-4

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) 0.95 5.45 -56.82 0 5 -1 64 253.322 2 ↓
Lo Low (pH 4.5-6) 0.95 5.11 -44.07 2 5 1 62 255.338 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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