UCSF

ZINC31779193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 22 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) 3.49 10.83 -14.01 1 4 0 47 403.223 4
Mid Mid (pH 6-8) 3.49 11.31 -38.19 2 4 1 48 404.231 4

Activity (Go SEA)

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