UCSF

ZINC36751288

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 29 Yes

Popular Name: 4-[2-(4-Chloro-phenyl)-ethenesulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one 4-[2-(4-Chloro-phenyl)-ethenesul…

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CAS Number: 234100-37-9

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Annotations

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Vendors

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) 2.38 7.05 -47.52 2 7 1 88 431.925 5 ↓
Hi High (pH 8-9.5) 2.38 6.58 -17.27 1 7 0 86 430.917 5 ↓

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