UCSF

ZINC52379178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 1.49 5.76 -88.72 3 3 2 24 227.396 5
Mid Mid (pH 6-8) 1.49 3.72 -32.98 2 3 1 23 226.388 5
Mid Mid (pH 6-8) 1.49 5.05 -110.95 3 3 2 24 227.396 5

Activity (Go SEA)

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

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