UCSF

ZINC00388089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 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) 0.72 3.25 -44.92 1 3 -1 60 165.168 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 121 - 125 Acros Organics
Melting_Point 122-126? Alfa-Aesar
Melting_Point 122-126° Alfa-Aesar
MP 124 TCI
purity 9.500000000000000e+001 Enamine Building Blocks
ALOGPS_SOLUBILITY 9.80e+00 g/l DrugBank-experimental
Mp [°C] 95 Acros Organics
Purity 95+% Matrix Scientific
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar
UniProt Database Links FLDA_CLOSG; FLDB_CLOSG; FLDC_CLOSG; FLDH_CLOSG; FLDI_CLOSG; PAAK_AZOEV ChEBI
Warnings IRRITANT Matrix Scientific
Reactome Database Links REACT_121215 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abnormal metabolism in phenylketonuria

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