UCSF

ZINC00161156

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 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) 3.85 0.24 -3.93 0 0 0 0 192.308 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 109-110?/0.4mm Alfa-Aesar
Boiling_Point 109-110°/0.4mm Alfa-Aesar

Activity (Go SEA)

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

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