UCSF

ZINC02558855

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 No

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) 5.45 13.21 -44.31 0 2 -1 40 295.468 10

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
STE14-1-F Isoprenylcysteine Carboxyl Methyltransferase (cluster #1 Of 2), Fungal Fungi 4600 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
STE14_YEAST P32584 Isoprenylcysteine Carboxyl Methyltransferase, Yeast 4600 0.37 Binding ≤ 10μM

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

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