UCSF

ZINC57996433

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.45 10.79 -17.38 0 6 0 65 397.529 5
Lo Low (pH 4.5-6) 3.45 11.27 -41.67 1 6 1 66 398.537 5

Activity (Go SEA)

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

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