UCSF

ZINC00023662

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 22 Yes

Popular Name: 2-[2-(4-chlorophenyl)-9-methyl-5-oxo-8-oxa-3,4,7-triazabicyclo[4.3.0]nona-2,6,9-trien-4-yl]acetic 2-[2-(4-chlorophenyl)-9-methyl-5…

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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) 1.65 5.93 -61.92 0 7 -1 101 318.696 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-1-E Aldose Reductase (cluster #1 Of 5), Eukaryotic Eukaryotes 3720 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_BOVIN P16116 Aldose Reductase, Bovin 3720 0.35 Binding ≤ 10μM

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