UCSF

ZINC05855933

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 2.32 7.29 -40.55 2 5 1 69 270.349 8
Mid Mid (pH 6-8) 2.32 5.92 -6.47 1 5 0 65 269.341 8

Activity (Go SEA)

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