UCSF

ZINC62968267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.04 5.8 -33.68 2 3 1 28 275.416 4
Mid Mid (pH 6-8) 2.04 7.81 -106.46 3 3 2 29 276.424 4
Mid Mid (pH 6-8) 2.04 5.69 -34.65 2 3 1 28 275.416 4

Activity (Go SEA)

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

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