UCSF

ZINC40109279

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 No

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) 5.37 12.49 -64.96 0 6 -1 83 458.534 9
Mid Mid (pH 6-8) 5.37 11.73 -17.95 1 6 0 80 459.542 9

Activity (Go SEA)

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