UCSF

ZINC39763961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 24 No

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) 2.49 7.26 -10.08 1 5 0 57 320.396 5
Lo Low (pH 4.5-6) 2.49 8.01 -81.32 2 5 0 58 321.404 5

Activity (Go SEA)

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

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