UCSF

ZINC69134067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 Yes

Popular Name: 3-[(2S,6R)-2,6-dimethylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine 3-[(2S,6R)-2,6-dimethylpiperazin…

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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) 0.46 2.21 -54.02 3 6 1 83 295.388 2 ↓
Mid Mid (pH 6-8) 0.46 0.87 -11.1 2 6 0 78 294.38 2 ↓

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

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