UCSF

ZINC06017650

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 26 No

Popular Name: Chrysosplenol D Chrysosplenol D

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14965-20-9 , [14965-20-9]

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) 2.28 1.65 -14.79 3 8 0 119 360.318 4 ↓
Mid Mid (pH 6-8) 2.28 2.3 -63.37 2 8 -1 121 359.31 4 ↓

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 348 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_RAT P07943 Aldose Reductase, Rat 348.337315 0.35 Binding ≤ 1μM
ALDR_RAT P07943 Aldose Reductase, Rat 348.337315 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pregnenolone biosynthesis

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

No pre-computed analogs available. Try a structural similarity search.