UCSF

ZINC31961571

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.45 2.94 -53.26 5 5 1 82 291.762 5
Mid Mid (pH 6-8) 1.45 2.54 -13.3 4 5 0 80 290.754 5
Mid Mid (pH 6-8) 1.45 3.4 -97.72 6 5 2 83 292.77 5

Activity (Go SEA)

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