UCSF

ZINC01696568

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 17 Yes

Popular Name: 1-Propanone, 3-(diethylamino)-1-(4-methoxyphenyl)-, hydrochloride; 3-(1-Diethylamino)-4'-methoxypropiophenone hydrochloride; LS-125148; NSC 70976; NSC 71945; Propiophenone, 3-(1-diethylamino)-4'-methoxy-, hydrochloride; Propiophenone, 3-(diethylamino)-4'- 1-Propanone, 3-(diethylamino)-1-…

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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) 2.57 2.67 -40.68 1 3 1 30 236.335 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80362-1-O P388 (Lymphoma Cells) (cluster #1 Of 8), Other Other 1600 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80362 Z80362 P388 (Lymphoma Cells) 1600 0.48 Functional ≤ 10μM

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