UCSF

ZINC66066564

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 36 Yes

Popular Name: N-[(2E)-2-[(4R)-4-(3,3-dimethylbutyl)-4-methyl-1,3-dioxo-tetralin-2-ylidene]-4-(hydroxymethyl)-1H-qu N-[(2E)-2-[(4R)-4-(3,3-dimethylb…

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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) 4.12 6.65 -47.26 1 7 -1 116 507.632 7 ↓
Mid Mid (pH 6-8) 5.32 6.25 -123.44 1 7 -2 121 506.624 7 ↓
Lo Low (pH 4.5-6) 4.12 6.44 -23.11 2 7 0 113 508.64 7 ↓
Lo Low (pH 4.5-6) 4.12 6.98 -30.68 2 7 0 117 508.64 7 ↓

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

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