UCSF

ZINC43442099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.62 3.02 -11.07 1 6 0 77 255.318 8
Mid Mid (pH 6-8) 1.62 4.24 -41.79 2 6 1 82 256.326 8

Activity (Go SEA)

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