UCSF

ZINC71556435

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 31 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) 5.79 11.07 -56.18 0 6 -1 87 457.597 9
Mid Mid (pH 6-8) 6.72 11.38 -14.68 1 6 0 89 458.605 8

Activity (Go SEA)

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

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