UCSF

ZINC57958343

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 24 No

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) 3.68 9 -44.41 3 4 1 46 350.552 7
Mid Mid (pH 6-8) 3.68 6.9 -7.98 2 4 0 44 349.544 7

Activity (Go SEA)

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

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