UCSF

ZINC00154522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 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) -1.00 -0.04 -29.48 2 5 0 75 153.141 1
Ref Reference (pH 7) -0.54 -2 -64.42 1 5 -1 78 152.133 1
Hi High (pH 8-9.5) -1.00 -0.7 -23.4 2 5 0 75 153.141 1

Vendor Notes

Note Type Comments Provided By
MP 325 TCI
Purity 95% Fluorochem
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Purity ¡Ý97.0% APIChem

Activity (Go SEA)

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

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