UCSF

ZINC71531895

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 15 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) 1.52 3.71 -8.88 1 3 0 32 224.691 1
Mid Mid (pH 6-8) 1.52 4.67 -48.63 2 3 1 37 225.699 1

Activity (Go SEA)

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

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