UCSF

ZINC21301348

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 12 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.21 -2.07 -11.48 4 5 0 84 187.224 3
Hi High (pH 8-9.5) 0.21 -2 -40.3 3 5 -1 86 186.216 3
Lo Low (pH 4.5-6) 0.21 -2.27 -55.62 5 5 1 86 188.232 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 217-219? dec. Alfa-Aesar
Melting_Point 217-219° dec. Alfa-Aesar

Activity (Go SEA)

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

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