UCSF

ZINC06036743

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 11 Yes

Other Names:

MFCD15201567

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) 1.58 -1.98 -39.9 3 1 1 27 168.285 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-9-O Rattus Norvegicus (cluster #9 Of 12), Other Other 9800 0.64 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 9800 0.64 Functional ≤ 10μM

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