UCSF

ZINC52379575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 20 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) 1.72 7.1 -82.69 3 4 2 37 281.444 6
Mid Mid (pH 6-8) 1.72 4.74 -38.55 2 4 1 36 280.436 6
Mid Mid (pH 6-8) 1.72 7 -90.09 3 4 2 37 281.444 6

Activity (Go SEA)

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

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