UCSF

ZINC53261151

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.42 9.52 -15.53 0 5 0 91 321.393 6
Lo Low (pH 4.5-6) 0.83 7.62 -5.25 0 5 0 85 322.401 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-4-O Cavia Porcellus (cluster #4 Of 7), Other Other 350 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 310 0.40 Functional ≤ 10μM

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