UCSF

ZINC27769055

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 26 Yes

Popular Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-fluorophenyl)-1-(4-piperidinyl)-, monohydrobromide; 7-Chloro-1,3-dihydro-5-(2-fluorophenyl)-1-(4-piperidinyl)-2H-1,4-benzodiazepin-2-one HBr; LS-34227 2H-1,4-Benzodiazepin-2-one, 1,3-…

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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) 2.68 7.81 -44.85 2 4 1 49 372.851 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 118 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 118 0.37 Functional ≤ 10μM

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