UCSF

ZINC43100017

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) 3.80 4.3 -8.36 4 4 0 81 444.656 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80437-1-O RWLeu4 (cluster #1 Of 1), Other Other 8 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80437 Z80437 RWLeu4 8 0.35 Functional ≤ 10μM

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