UCSF

ZINC08860490

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 22 Yes

Popular Name: Linoleylacetate Linoleylacetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2091-39-6 , 5999-95-1

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) 7.87 15.52 -43.56 0 2 -1 40 307.498 16 ↓
Lo Low (pH 4.5-6) 7.87 13.54 -5.37 1 2 0 37 308.506 16 ↓

Activity (Go SEA)

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