UCSF

ZINC73630351

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2012 16 Yes

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) 1.82 5.72 -49.39 0 4 -1 59 223.248 6
Lo Low (pH 4.5-6) 1.82 3.74 -8.34 1 4 0 56 224.256 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 56-60? Alfa-Aesar
Melting_Point 56-60° Alfa-Aesar

Activity (Go SEA)

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

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