UCSF

ZINC05686975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 13 Yes

Popular Name: 7-hydroxy-2-(methylamino)[1,3]thiazolo[4,5-b]pyridin-5(4H)-one 7-hydroxy-2-(methylamino)[1,3]th…

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CAS Number: 626226-54-8

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) 0.83 -0.13 -47.25 2 5 -1 81 196.211 1 ↓
Ref Reference (pH 7) 0.83 -0.2 -48.21 2 5 -1 81 196.211 1 ↓
Hi High (pH 8-9.5) -0.33 -2.18 -92.9 0 5 -2 79 195.203 1 ↓
Hi High (pH 8-9.5) -0.33 -2.17 -92.91 0 5 -2 79 195.203 1 ↓
Mid Mid (pH 6-8) -0.33 -0.66 -43.83 2 5 0 78 197.219 1 ↓
Mid Mid (pH 6-8) -0.33 -0.66 -43.83 2 5 0 78 197.219 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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