UCSF

ZINC71556343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.45 10.71 -20.99 1 5 0 67 412.342 6
Mid Mid (pH 6-8) 5.45 10.27 -42.14 0 5 -1 66 411.334 6
Lo Low (pH 4.5-6) 5.45 10.27 -10.9 1 5 0 63 412.342 6
Lo Low (pH 4.5-6) 5.45 10.69 -34.79 2 5 1 65 413.35 6

Activity (Go SEA)

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

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