UCSF

ZINC22859184

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 12 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) 1.17 4.92 -28.37 1 2 1 8 169.292 2
Mid Mid (pH 6-8) 1.17 7.15 -100.45 2 2 2 9 170.3 2
Mid Mid (pH 6-8) 1.17 5.32 -27.53 1 2 1 8 169.292 2

Activity (Go SEA)

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

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