UCSF

ZINC25545882

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 3.68 9.08 -35.04 2 3 1 34 295.834 3
Hi High (pH 8-9.5) 3.68 6.92 -6.94 1 3 0 32 294.826 3

Activity (Go SEA)

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