UCSF

ZINC62966173

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: 6-[(3S)-3-(diethylamino)pyrrolidin-1-yl]imidazo[2,1-b]thiazole-5-carboxylic 6-[(3S)-3-(diethylamino)pyrrolid…

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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) 1.98 8.54 -64.29 1 6 0 65 308.407 5 ↓
Hi High (pH 8-9.5) 1.98 6.42 -58.47 0 6 -1 64 307.399 5 ↓
Mid Mid (pH 6-8) 1.98 6.49 -31.22 1 6 0 65 308.407 5 ↓

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

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