UCSF

ZINC65492918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 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) -0.74 6.62 -62.32 1 8 -1 114 338.347 4
Lo Low (pH 4.5-6) -0.74 4.63 -19.82 2 8 0 111 339.355 4

Activity (Go SEA)

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

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