UCSF

ZINC40812570

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 29 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) 0.81 10.75 -98.71 2 7 0 91 403.454 5
Mid Mid (pH 6-8) -1.94 8.87 -78.09 3 7 1 94 404.462 4

Activity (Go SEA)

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