UCSF

ZINC08443064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 21 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) 5.50 -1.21 -45.14 0 3 -1 53 453.053 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SYPC-1-F Prolyl-tRNA Synthetase (cluster #1 Of 1), Fungal Fungi 19 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SYPC_CANAX P78600 Prolyl-tRNA Synthetase, Canax 19 0.51 Binding ≤ 1μM
SYPC_CANAX P78600 Prolyl-tRNA Synthetase, Canax 19 0.51 Binding ≤ 10μM

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