UCSF

ZINC48336741

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 2.56 4.52 -7.65 1 4 0 37 277.393 4
Mid Mid (pH 6-8) 2.56 6.85 -42.75 2 4 1 39 278.401 4

Activity (Go SEA)

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