UCSF

ZINC33978741

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 15 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) -0.34 0.75 -39.04 4 4 1 66 209.269 5
Mid Mid (pH 6-8) -0.34 0.36 -6.35 3 4 0 64 208.261 5

Activity (Go SEA)

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

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