UCSF

ZINC26146529

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 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) 4.03 11.41 -38.33 1 4 1 32 354.861 4
Mid Mid (pH 6-8) 4.03 10.93 -7.27 0 4 0 30 353.853 4

Activity (Go SEA)

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