UCSF

ZINC71498185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.37 10.08 -41.75 2 7 1 77 327.412 6
Mid Mid (pH 6-8) 0.37 10.52 -88.61 3 7 2 78 328.42 6
Mid Mid (pH 6-8) 0.37 9.57 -14.57 1 7 0 76 326.404 6

Activity (Go SEA)

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

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