UCSF

ZINC12305689

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 22 Yes

Popular Name: N,2-dimethyl-N-[[2-methylsulfonyl-3-[[(2R)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]methyl]prop-2-e N,2-dimethyl-N-[[2-methylsulfony…

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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) 1.40 5.14 -45.68 1 6 1 66 328.458 7 ↓
Mid Mid (pH 6-8) 1.40 5.63 -101.16 2 6 2 67 329.466 7 ↓

Activity (Go SEA)

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