UCSF

ZINC01680651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 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) 3.46 0.61 -7.73 0 1 0 12 193.249 0
Lo Low (pH 4.5-6) 3.46 0.66 -27.88 1 1 1 14 194.257 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 73-78? Alfa-Aesar
Melting_Point 73-78° Alfa-Aesar

Activity (Go SEA)

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

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