UCSF

ZINC62794336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.45 6.38 -75.85 5 5 2 74 277.759 2
Hi High (pH 8-9.5) 0.45 5.92 -40.94 4 5 1 73 276.751 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.