UCSF

ZINC04092193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 26 Yes

Popular Name: (1R,6S)-6-({[2-({[(1S,6R)-6-carboxy-3-cyclohexenyl]carbonyl}amino)ethyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid (1R,6S)-6-({[2-({[(1S,6R)-6-carb…

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CAS Number: 1864003-32-6

Other Names:

MFCD08690893

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) 0.34 -3 -112.25 2 8 -2 138 362.382 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics

Activity (Go SEA)

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