UCSF

ZINC33306170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 24 No

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) 4.78 7.38 -14.86 2 5 0 71 320.348 4
Hi High (pH 8-9.5) 4.78 8.38 -64.05 1 5 -1 74 319.34 4

Activity (Go SEA)

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

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