UCSF

ZINC00391898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 8 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.22 -1.48 -36.33 4 3 1 60 115.156 1
Hi High (pH 8-9.5) 1.88 3.13 -11.09 2 6 0 92 340.36 3

Vendor Notes

Note Type Comments Provided By
MP 168 - 170 Enamine Building Blocks
MP 168...170 Enamine Building Blocks
MP 178-182 °C Indofine
MP 30 - 32 Enamine Building Blocks
MP 30...32 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Melting_Point 95-99? Alfa-Aesar
Melting_Point 95-99° Alfa-Aesar
Mp [°C] 97 - 102 Acros Organics
MP 97-102° Oakwood Chemical
Purity 98% Fluorochem
MP 99 TCI
Warnings IRRITANT Matrix Scientific
UniProt Database Links LAAA_PSEAZ; LAAA_PSEFS ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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