UCSF

ZINC67540309

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 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) 1.83 5.51 -47.81 4 6 1 82 324.408 3
Mid Mid (pH 6-8) 1.83 5.49 -30.79 4 6 1 81 324.408 3
Mid Mid (pH 6-8) 1.83 5.11 -9.66 3 6 0 80 323.4 3

Activity (Go SEA)

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

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