UCSF

ZINC21529722

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 Yes

Popular Name: 4-[(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylamino)methyl]-5-(hydroxymethyl)-2-methyl-pyridin- 4-[(1,2-dihydroimidazo[2,1-b][1,…

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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) 2.62 2.86 -41.13 4 6 1 88 343.432 4 ↓
Hi High (pH 8-9.5) 2.62 1.32 -42.54 2 6 -1 86 341.416 4 ↓
Hi High (pH 8-9.5) 2.62 0.69 -15.91 3 6 0 83 342.424 4 ↓
Mid Mid (pH 6-8) 2.62 1.68 -38.27 4 6 1 84 343.432 4 ↓
Mid Mid (pH 6-8) 2.62 2.12 -73.08 5 6 2 86 344.44 4 ↓
Mid Mid (pH 6-8) 2.62 2.33 -52.97 3 6 0 87 342.424 4 ↓
Mid Mid (pH 6-8) 2.62 1.75 -26.79 3 6 0 87 342.424 4 ↓

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

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