UCSF

ZINC60021850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 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) 2.94 7.68 -35.62 4 5 1 63 353.49 6
Mid Mid (pH 6-8) 2.94 5.73 -8.59 3 5 0 62 352.482 6

Activity (Go SEA)

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

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