UCSF

ZINC22726696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.67 4.77 -9.12 2 5 0 65 328.412 8
Lo Low (pH 4.5-6) 3.67 4.8 -32.14 3 5 0 66 329.42 8
Lo Low (pH 4.5-6) 3.67 3.59 -30.81 3 5 0 66 329.42 8

Activity (Go SEA)

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

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