UCSF

ZINC00391933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2005 12 Yes

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) -1.34 -6.71 -38.48 4 4 1 65 174.22 0

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MA2C1-1-E Alpha-mannosidase 2C1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1750 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MA2C1_RAT P21139 Alpha-mannosidase 2C1, Rat 1750 0.67 Binding ≤ 10μM

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