UCSF

ZINC05360089

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 30 No

Popular Name: 31078-10-1; C16809; Isovaltrate 31078-10-1; C16809; Isovaltrate

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CAS Number: 31078-10-1

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) 3.31 4.07 -15.32 0 8 0 100 422.474 11 ↓

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