UCSF

ZINC43409457

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 25 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
Mid Mid (pH 6-8) 2.54 10.29 -9.76 0 5 0 91 349.447 8

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 6900 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 5900 0.29 Functional ≤ 10μM

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