UCSF

ZINC27079354

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 39 No

Popular Name: 3-[[4-[2-(2,2-dimethylpropanoyloxymethoxycarbonyl)phenyl]phenyl]methyl]-5-(1-hydroxy-1-methyl-ethyl) 3-[[4-[2-(2,2-dimethylpropanoylo…

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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) 6.08 14.66 -58.39 2 9 0 132 536.625 13 ↓
Hi High (pH 8-9.5) 6.08 14.29 -71.1 1 9 -1 131 535.617 13 ↓

Activity (Go SEA)

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