UCSF

ZINC69121052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 22 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) 2.09 1.55 -12.4 1 7 0 98 324.406 7
Lo Low (pH 4.5-6) 2.09 2 -45.52 2 7 1 99 325.414 7

Activity (Go SEA)

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

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