UCSF

ZINC03915160

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 32 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) 1.51 0.89 -22.21 2 13 0 167 473.423 15
Lo Low (pH 4.5-6) 1.51 1.04 -45.06 3 13 1 168 474.431 15
Lo Low (pH 4.5-6) 1.51 1.03 -41.16 3 13 1 168 474.431 15

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80583-7-O Vero (Kidney Cells) (cluster #7 Of 7), Other Other 200 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80583 Z80583 Vero (Kidney Cells) 200 0.29 Functional ≤ 10μM

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