UCSF

ZINC71576443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 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) 2.99 4.6 -52.87 2 3 -1 66 254.237 2
Lo Low (pH 4.5-6) 2.99 5.92 -37.7 3 3 0 68 255.245 2

Activity (Go SEA)

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

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