UCSF

ZINC09411403

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 No

Popular Name: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-isopropoxybenzoyl)-5-(2-methoxyphenyl)-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) 3.48 11.06 -75.41 1 7 0 83 452.551 10 ↓
Mid Mid (pH 6-8) 2.90 1.96 -45.99 1 7 1 77 453.559 10 ↓
Mid Mid (pH 6-8) 3.93 10.91 -45.16 2 7 1 81 453.559 9 ↓

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