UCSF

ZINC41666950

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.32 8.52 -14.55 0 7 0 78 403.475 10
Mid Mid (pH 6-8) 3.32 11.4 -49.48 1 7 1 79 404.483 10

Activity (Go SEA)

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