UCSF

ZINC00000446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 19 Yes

Popular Name: 4-(4-Methoxynaphthalen-1-yl)-4-oxobutanoic acid 4-(4-Methoxynaphthalen-1-yl)-4-o…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3562-99-0 , [3562-99-0]

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) 2.42 8.11 -48.35 0 4 -1 66 257.265 5 ↓
Lo Low (pH 4.5-6) 2.42 6.13 -10.15 1 4 0 64 258.273 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.