UCSF

ZINC53655459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 1.80 5.82 -39.66 2 3 1 33 248.394 5
Mid Mid (pH 6-8) 1.80 5.85 -79.04 3 3 2 34 249.402 5
Mid Mid (pH 6-8) 1.80 8.07 -99.44 3 3 2 34 249.402 5

Activity (Go SEA)

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

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