UCSF

ZINC38124813

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 16 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) 1.50 3.73 -29.78 3 3 1 37 227.372 5
Mid Mid (pH 6-8) 1.50 2.15 -35.73 3 3 1 40 227.372 5
Mid Mid (pH 6-8) 1.50 4.63 -99.69 4 3 2 41 228.38 5

Activity (Go SEA)

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

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