UCSF

ZINC20122339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.77 4.8 -41.01 2 5 1 51 295.403 5
Mid Mid (pH 6-8) 1.77 6.9 -126.9 3 5 2 53 296.411 5
Mid Mid (pH 6-8) 1.77 5.36 -37.65 2 5 1 48 295.403 5

Activity (Go SEA)

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

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