UCSF

ZINC75542677

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2012 11 Yes

Popular Name: (E,2S)-2-ethyl-2-methyl-hex-4-enoic (E,2S)-2-ethyl-2-methyl-hex-4-enoic

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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) 2.22 6.67 -47.84 0 2 -1 40 155.217 4 ↓
Lo Low (pH 4.5-6) 2.22 4.6 -4.57 1 2 0 37 156.225 4 ↓

Activity (Go SEA)

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