UCSF

ZINC04566189

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 8 Yes

Popular Name: 2,2-Dimethylbut-3-enoic acid 2,2-Dimethylbut-3-enoic acid

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CAS Numbers: 10276-09-2 , [10276-09-2]

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) 1.36 1.93 -45.99 0 2 -1 40 113.136 2 ↓

Activity (Go SEA)

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