UCSF

ZINC08433345

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 33 No

Popular Name: 4-(4-butoxy-3-methylbenzoyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-5-pyridin-4-yl-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxy-3-methylbenzoyl)-1-[…

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Other Names:

MFCD03274540

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Annotations

None

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) 3.26 10.2 -47.48 2 7 1 84 452.575 11 ↓
Mid Mid (pH 6-8) 2.68 10.87 -56.84 1 7 1 81 452.575 11 ↓
Lo Low (pH 4.5-6) 3.26 10.48 -107.86 3 7 2 85 453.583 11 ↓
Lo Low (pH 4.5-6) 2.68 11.15 -121.55 2 7 2 82 453.583 11 ↓

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