UCSF

ZINC31978039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.24 6.85 -93.07 4 4 2 45 319.493 5
Mid Mid (pH 6-8) 2.24 4.38 -44.66 3 4 1 43 318.485 5
Mid Mid (pH 6-8) 2.24 6.67 -101.56 4 4 2 45 319.493 5

Activity (Go SEA)

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