UCSF

ZINC48945759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 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) -0.43 3.74 -88.84 5 5 2 64 290.411 2
Hi High (pH 8-9.5) -0.43 1.37 -5.31 3 5 0 62 288.395 2
Mid Mid (pH 6-8) -0.43 1.68 -44.45 4 5 1 63 289.403 2
Mid Mid (pH 6-8) -0.43 3.43 -40.11 4 5 1 63 289.403 2

Activity (Go SEA)

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

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