UCSF

ZINC08698203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 9 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) 1.86 1.82 -3.64 0 2 0 22 188.024 1
Lo Low (pH 4.5-6) 1.86 2.54 -31.53 1 2 1 23 189.032 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 25-26? Alfa-Aesar
Boiling_Point 87?/15mm Alfa-Aesar
Purity 95% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

Activity (Go SEA)

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

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