UCSF

ZINC00366885

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 Yes

Popular Name: 1,1-Cyclohexanediacetic acid monoamide 1,1-Cyclohexanediacetic acid mon…

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CAS Number: 99189-60-3

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) 0.82 2.88 -46.49 2 4 -1 83 198.242 4 ↓
Lo Low (pH 4.5-6) 0.82 0.9 -5.9 3 4 0 80 199.25 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 147 TCI
Purity 97% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.