UCSF

ZINC41584183

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 6.01 11.98 -44.72 2 7 1 83 484.613 12
Mid Mid (pH 6-8) 6.01 12.64 -28.15 1 7 0 85 483.605 12

Activity (Go SEA)

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