UCSF

ZINC08440499

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 1-[3-(dimethylamino)propyl]-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 1-[3-(dimethylamino)propyl]-3-hy…

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Other Names:

MFCD03724181

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Annotations

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Vendors

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) 2.56 9.29 -47.49 2 7 1 84 438.548 9 ↓
Mid Mid (pH 6-8) 1.98 9.95 -56.89 1 7 1 81 438.548 9 ↓
Lo Low (pH 4.5-6) 2.56 9.57 -107.87 3 7 2 85 439.556 9 ↓
Lo Low (pH 4.5-6) 1.98 10.23 -121.56 2 7 2 82 439.556 9 ↓

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