UCSF

ZINC39500331

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 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) 2.25 4.46 -48.58 3 5 1 57 389.491 9
Mid Mid (pH 6-8) 2.25 4.35 -45.6 3 5 1 57 389.491 9
Mid Mid (pH 6-8) 2.25 2.2 -9.71 2 5 0 56 388.483 9

Activity (Go SEA)

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

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