UCSF

ZINC13827061

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 19 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) 0.69 6.51 -13.88 1 7 0 90 264.285 5
Mid Mid (pH 6-8) 0.69 7 -54.06 2 7 1 91 265.293 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-5-O Cavia Porcellus (cluster #5 Of 7), Other Other 3500 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 3500 0.40 Functional ≤ 10μM

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