UCSF

ZINC05926296

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 0.90 -0.85 -14.98 2 8 0 109 387.388 9
Hi High (pH 8-9.5) 0.32 -0.49 -17.03 1 8 0 106 387.388 9

Activity (Go SEA)

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