UCSF

ZINC67983414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 25 Yes

Popular Name: 6-chloro-5-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]imidazo[2,1-b]thiazole 6-chloro-5-[[4-(7H-pyrrolo[2,3-d…

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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) 2.21 8.35 -13.92 1 7 0 65 373.873 3 ↓
Lo Low (pH 4.5-6) 2.21 11.05 -94.87 3 7 2 68 375.889 3 ↓
Lo Low (pH 4.5-6) 2.21 10.58 -47.48 2 7 1 67 374.881 3 ↓

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Rings

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

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