UCSF

ZINC22913499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 15 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) 1.29 3.59 -40.84 2 2 1 20 213.251 2
Hi High (pH 8-9.5) 1.29 2.18 -3.24 1 2 0 15 212.243 2

Vendor Notes

Note Type Comments Provided By
Boiling_Point 80-82?/0.04mm Alfa-Aesar

Activity (Go SEA)

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