UCSF

ZINC67447226

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 1.07 3.69 -51.78 1 6 -1 92 306.269 4
Lo Low (pH 4.5-6) 1.07 2.82 -22.94 2 6 0 89 307.277 4

Activity (Go SEA)

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

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