UCSF

ZINC20125996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) -0.22 5.84 -119.22 3 6 2 65 270.377 5
Mid Mid (pH 6-8) -0.22 4.81 -41.79 2 6 1 60 269.369 5

Activity (Go SEA)

Rings

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