UCSF

ZINC52446650

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 28 Yes

Popular Name: [1-[4-[[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]phenyl]-4-piperidyl]methanol [1-[4-[[(6-tert-butylimidazo[2,1…

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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) 4.27 8.72 -10.96 2 6 0 66 399.564 6 ↓
Mid Mid (pH 6-8) 4.27 9.04 -25.48 3 6 1 67 400.572 6 ↓
Mid Mid (pH 6-8) 4.27 9.37 -44.5 3 6 1 67 400.572 6 ↓
Lo Low (pH 4.5-6) 4.27 9.71 -71.19 4 6 2 68 401.58 6 ↓

Activity (Go SEA)

Rings

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

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