UCSF

ZINC13152668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2008 15 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) 1.65 0.13 -19.78 2 5 0 82 228.273 3
Ref Reference (pH 7) 1.65 0.11 -19.26 2 5 0 82 228.273 3
Mid Mid (pH 6-8) 1.65 -0.34 -61.2 3 5 1 83 229.281 3

Activity (Go SEA)

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

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