UCSF

ZINC60141357

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 27 Yes

Popular Name: 1-[8-chloro-6-(2,6-difluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]-N,N-dimethyl-me 1-[8-chloro-6-(2,6-difluoropheny…

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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) 2.34 9.95 -45.9 1 5 1 48 388.829 3 ↓
Mid Mid (pH 6-8) 2.34 7.5 -14.55 0 5 0 46 387.821 3 ↓
Lo Low (pH 4.5-6) 2.34 10.88 -88.03 2 5 2 49 389.837 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3947466; US3957761; US4009175; US4039551; US4081452; US4250094 IBM Patent Data

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