UCSF

ZINC52917059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 23 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) 1.93 6.33 -44.5 2 6 1 63 324.445 9
Mid Mid (pH 6-8) 1.93 4.12 -15.78 1 6 0 62 323.437 9

Activity (Go SEA)

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

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