UCSF

ZINC17147466

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 No

Popular Name: (4E,5R)-1-(2-dimethylaminoethyl)-4-[hydroxy-(2-methylimidazo[3,2-a]pyridin-3-yl)methylene]-5-phenyl- (4E,5R)-1-(2-dimethylaminoethyl)…

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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) 2.23 11.12 -59.62 1 7 0 82 404.47 6 ↓
Hi High (pH 8-9.5) 2.23 8.59 -47.88 0 7 -1 81 403.462 6 ↓
Mid Mid (pH 6-8) 2.23 10.52 -47.58 2 7 1 79 405.478 6 ↓
Mid Mid (pH 6-8) 1.65 11.01 -52.91 1 7 1 76 405.478 6 ↓
Mid Mid (pH 6-8) 2.23 10.94 -84.88 3 7 2 81 406.486 6 ↓
Mid Mid (pH 6-8) 1.65 11.44 -83.67 2 7 2 77 406.486 6 ↓

Activity (Go SEA)

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