UCSF

ZINC26670192

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 20 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) 3.96 9.07 -32.83 2 3 1 34 295.834 6
Hi High (pH 8-9.5) 3.96 7.51 -6.06 1 3 0 32 294.826 6

Activity (Go SEA)

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