UCSF

ZINC13405952

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 17 Yes

Popular Name: 7-methoxy-5-(2-pyridyl)isothiazolo[4,5-b]pyridine 7-methoxy-5-(2-pyridyl)isothiazo…

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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) 2.20 4.08 -7.6 0 4 0 48 243.291 2 ↓
Mid Mid (pH 6-8) 2.20 4.26 -29.51 1 4 1 49 244.299 2 ↓
Lo Low (pH 4.5-6) 2.20 4.29 -41.03 1 4 1 49 244.299 2 ↓
Lo Low (pH 4.5-6) 2.20 4.47 -99.39 2 4 2 50 245.307 2 ↓

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Rings

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

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