UCSF

ZINC06689236

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 26 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) 2.77 11.46 -9.02 0 5 0 51 353.397 7
Mid Mid (pH 6-8) 2.77 12.37 -32.64 1 5 1 53 354.405 7

Activity (Go SEA)

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