UCSF

ZINC04298355

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 19 Yes

Popular Name: 3-[(4-methylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 3-[(4-methylpiperazin-1-yl)carbo…

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CAS Numbers: 436811-00-6 , N/A

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) 0.80 -0.01 -53.39 1 5 0 64 264.325 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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