UCSF

ZINC71554298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 29 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) 3.21 11.01 -47.61 2 7 1 77 433.941 5
Mid Mid (pH 6-8) 3.21 8.59 -10.27 1 7 0 76 432.933 5

Activity (Go SEA)

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

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