UCSF

ZINC69232948

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) 1.45 6.54 -35.14 2 5 1 46 284.424 8
Mid Mid (pH 6-8) 1.45 6.76 -91.72 3 5 2 51 285.432 8
Mid Mid (pH 6-8) 1.45 8.62 -97.15 3 5 2 47 285.432 8
Mid Mid (pH 6-8) 1.45 6 -35.54 2 5 1 46 284.424 8

Activity (Go SEA)

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

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