UCSF

ZINC19735130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 13 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) -1.77 -2.17 -55.2 1 6 -1 99 198.183 1
Hi High (pH 8-9.5) -1.77 -2.31 -107.79 0 6 -2 97 197.175 1
Hi High (pH 8-9.5) -1.77 -2.35 -109.04 0 6 -2 97 197.175 1
Mid Mid (pH 6-8) -1.77 -2.12 -50.25 1 6 -1 99 198.183 1

Vendor Notes

Note Type Comments Provided By
MP 300°(dec) Matrix Scientific
Purity 98% Matrix Scientific
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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

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