UCSF

ZINC38124934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 14 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) 0.83 2.54 -32.42 3 3 1 37 199.318 4
Mid Mid (pH 6-8) 0.83 0.99 -35.77 3 3 1 40 199.318 4
Mid Mid (pH 6-8) 0.83 3.37 -101.16 4 3 2 41 200.326 4

Activity (Go SEA)

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

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