UCSF

ZINC67631276

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 3.04 9.7 -17.73 0 4 0 43 286.338 2
Lo Low (pH 4.5-6) 3.04 9.83 -41.32 1 4 1 44 287.346 2

Activity (Go SEA)

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

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