UCSF

ZINC42443687

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Popular Name: (2S)-N'-ethyl-N'-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-(imidazo[1,2-a]…

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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) 1.27 5.59 -79.22 4 4 2 49 248.374 6 ↓
Hi High (pH 8-9.5) 1.27 7.02 -33.82 3 4 1 48 247.366 6 ↓
Mid Mid (pH 6-8) 1.27 4.89 -48.08 3 4 1 48 247.366 6 ↓
Lo Low (pH 4.5-6) 1.27 7.39 -98.96 4 4 2 49 248.374 6 ↓

Activity (Go SEA)

Rings

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