UCSF

ZINC40863668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 Yes

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) 3.47 5.8 -8.23 1 3 0 47 319.154 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-4-O Aorta (cluster #4 Of 6), Other Other 3850 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102306 Z102306 Aorta 3850 0.40 Functional ≤ 10μM

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