UCSF

ZINC09068788

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 34 No

Popular Name: 1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-isopropylphenyl)-4-[(2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]-1,5-dihydro-2H-pyrrol-2-one 1-[3-(dimethylamino)propyl]-3-hy…

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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) 4.01 12.73 -77.19 1 7 0 82 460.578 8 ↓
Mid Mid (pH 6-8) 3.43 13.8 -81.8 2 7 2 77 462.594 8 ↓
Mid Mid (pH 6-8) 4.46 13.83 -89.15 3 7 2 81 462.594 7 ↓
Mid Mid (pH 6-8) 3.43 13.38 -52.35 1 7 1 76 461.586 8 ↓
Mid Mid (pH 6-8) 4.46 13.4 -44.74 2 7 1 79 461.586 7 ↓

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