UCSF

ZINC71495565

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.27 3.84 -97.59 4 2 2 32 156.273 1
Mid Mid (pH 6-8) 0.27 1.44 -40.97 3 2 1 31 155.265 1

Activity (Go SEA)

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

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