UCSF

ZINC00388682

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 Yes

Popular Name: 9-Fluoreneacetic Acid 9-Fluoreneacetic Acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6284-80-6 , [6284-80-6]

Download: MOL2 SDF SMILES Flexibase

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) 2.95 1.09 -52.28 0 2 -1 40 223.251 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 133-135 °C(lit.) Indofine
Melting_Point 133-135? Alfa-Aesar
Melting_Point 133-135° Alfa-Aesar
Purity 99% min APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 8900 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_RAT P07943 Aldose Reductase, Rat 8900 0.42 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pregnenolone biosynthesis

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