UCSF

ZINC00380998

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 Yes

Popular Name: 3-Isobutylcarbamoyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 3-Isobutylcarbamoyl-bicyclo[2.2.…

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CAS Number: 1005263-01-3

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) 1.78 5.98 -40.81 1 4 -1 69 236.291 4 ↓
Lo Low (pH 4.5-6) 1.78 4.03 -7.24 2 4 0 66 237.299 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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