UCSF

ZINC71553698

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 22 Yes

Popular Name: 1,4-diazepan-1-yl-[3-(dimethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]methanone 1,4-diazepan-1-yl-[3-(dimethylam…

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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) 0.59 8.61 -84.22 3 6 2 59 303.41 3 ↓
Hi High (pH 8-9.5) 0.59 4.84 -10.99 1 6 0 53 301.394 3 ↓
Mid Mid (pH 6-8) 0.59 6.14 -43.44 2 6 1 57 302.402 3 ↓

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

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