UCSF

ZINC41664360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

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) 5.43 11.13 -12.13 0 4 0 43 403.865 3
Lo Low (pH 4.5-6) 5.43 13.97 -49.44 1 4 1 44 404.873 3

Activity (Go SEA)

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

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