UCSF

ZINC01758811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 14 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) 3.78 3.34 -5 2 2 0 40 194.274 5
Hi High (pH 8-9.5) 3.21 6.28 -46.04 0 2 -1 40 193.266 5

Vendor Notes

Note Type Comments Provided By
Boiling_Point 333-335? Alfa-Aesar
Boiling_Point 333-335° Alfa-Aesar
Melting_Point 64-67? Alfa-Aesar
Melting_Point 64-67° Alfa-Aesar

Activity (Go SEA)

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