UCSF

ZINC55108392

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 3-[3-[[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]methyl]indol-1-yl]propanamide 3-[3-[[2-(2-methylimidazo[2,1-b]…

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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) 1.24 5.92 -17.38 3 7 0 90 382.493 8 ↓
Lo Low (pH 4.5-6) 1.24 7.28 -53.09 4 7 1 95 383.501 8 ↓
Lo Low (pH 4.5-6) 1.24 7.73 -109.31 5 7 2 96 384.509 8 ↓
Lo Low (pH 4.5-6) 1.24 6.36 -35.02 4 7 1 91 383.501 8 ↓

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Rings

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

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