UCSF

ZINC04889701

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 30 Yes

Popular Name: 2-[(5-butyl-2-thienyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-methyl]-5,5-dimethyl-cyclohexan 2-[(5-butyl-2-thienyl)-(2-hydrox…

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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) 4.20 14.8 -28.37 0 4 0 68 430.61 6 ↓
Mid Mid (pH 6-8) 5.37 14.93 -115.9 0 4 -2 80 428.594 6 ↓
Mid Mid (pH 6-8) 5.37 13.61 -56.86 1 4 -1 77 429.602 6 ↓
Mid Mid (pH 6-8) 4.79 14.87 -49.85 0 4 -1 74 429.602 6 ↓

Activity (Go SEA)

Rings

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