UCSF

ZINC22695167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 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) -0.02 0.83 -20.72 2 8 0 99 380.47 6
Hi High (pH 8-9.5) -0.02 0.98 -53.12 1 8 -1 101 379.462 6
Mid Mid (pH 6-8) -0.02 3.21 -72.78 2 8 0 102 380.47 6

Activity (Go SEA)

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

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