UCSF

ZINC49918158

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 43 No

Popular Name: 4-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-o 4-butyl-N-[2-(3,4-dimethoxypheny…

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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) 5.99 14.89 -23.51 1 9 0 103 602.757 15 ↓
Mid Mid (pH 6-8) 6.17 13.46 -50.65 0 9 -1 109 601.749 15 ↓

Activity (Go SEA)

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