UCSF

ZINC71570513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 3.42 8.29 -13.46 0 4 0 36 268.316 3
Mid Mid (pH 6-8) 3.42 8.43 -24.57 1 4 1 37 269.324 3

Activity (Go SEA)

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

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