UCSF

ZINC00115855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 18 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) 1.92 7.18 -40.93 1 4 1 38 249.334 2
Mid Mid (pH 6-8) 1.92 5.02 -7.52 0 4 0 37 248.326 2

Activity (Go SEA)

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