UCSF

ZINC00527670

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 Yes

Popular Name: 3-Chloro-4-(4-ethyl-piperazin-1-yl)-phenylamine 3-Chloro-4-(4-ethyl-piperazin-1-…

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CAS Numbers: , 626223-64-1 , 853298-98-3

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) 1.99 6.44 -33.46 3 3 1 34 240.758 2 ↓
Mid Mid (pH 6-8) 1.99 4.23 -3.04 2 3 0 32 239.75 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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