UCSF

ZINC28540146

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 31 No

Popular Name: AVICULARIN AVICULARIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22255-13-6 , 572-30-5 , [22255-13-6] , [572-30-5]

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) 0.80 -8.97 -36.91 7 11 0 190 434.353 4 ↓
Hi High (pH 8-9.5) 0.80 -7.97 -86.26 6 11 -1 193 433.345 4 ↓

Activity (Go SEA)

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