UCSF

ZINC17147592

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 No

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

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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) 2.50 11.96 -63.25 1 7 0 82 418.497 7 ↓
Mid Mid (pH 6-8) 2.50 11.34 -47.83 2 7 1 79 419.505 7 ↓
Mid Mid (pH 6-8) 1.92 11.86 -53.74 1 7 1 76 419.505 7 ↓
Mid Mid (pH 6-8) 2.50 11.76 -83.39 3 7 2 81 420.513 7 ↓
Mid Mid (pH 6-8) 1.92 12.28 -83.01 2 7 2 77 420.513 7 ↓

Activity (Go SEA)

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