UCSF

ZINC34926448

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Substance Information

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

Popular Name: 2,2-dimethyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]cyclopropanecarboxylic acid 2,2-dimethyl-3-[(4-methyl-1,4-di…

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CAS Numbers: 1142215-33-5 , [1142215-33-5]

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) 0.74 8.22 -70.13 1 5 0 65 254.33 2 ↓
Lo Low (pH 4.5-6) 0.74 6.64 -44.83 2 5 1 62 255.338 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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