UCSF

ZINC36532836

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 16 Yes

Popular Name: 2-[(benzylamino)carbonyl]cyclopropanecarboxylic acid 2-[(benzylamino)carbonyl]cyclopr…

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CAS Numbers: 1160474-47-4 , 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) 1.17 5.72 -47.89 1 4 -1 69 218.232 4 ↓
Lo Low (pH 4.5-6) 1.17 3.72 -8.83 2 4 0 66 219.24 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 94 KeyOrganics
MP 93-94° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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