UCSF

ZINC40950719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 37 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) 1.80 2.87 -20.8 4 9 0 142 507.539 9
Mid Mid (pH 6-8) 1.99 0.19 -68.82 3 9 -1 149 506.531 9

Activity (Go SEA)

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