UCSF

ZINC20029443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 27 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) 3.82 11.94 -116.65 3 4 2 40 374.5 9
Mid Mid (pH 6-8) 3.82 10.65 -32.77 2 4 1 35 373.492 9

Activity (Go SEA)

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

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