UCSF

ZINC33317608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 30 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) 4.49 10.75 -11.15 1 6 0 69 403.482 7
Mid Mid (pH 6-8) 4.49 11.18 -35.61 2 6 1 71 404.49 7

Activity (Go SEA)

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