UCSF

ZINC13679888

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 38 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) 5.63 27.69 -67.78 0 2 2 0 539.034 31

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLB1-1-O Phospholipase B (cluster #1 Of 1), Other Other 10000 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLB1_CRYNB P0CP75 Phospholipase B, Crynb 10000 0.18 Binding ≤ 10μM

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