UCSF

ZINC00895208

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 10 Yes

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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) -2.67 -10.72 -10.62 5 5 0 101 152.146 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 100-104? Alfa-Aesar
Melting_Point 100-104° Alfa-Aesar
Mp [°C] 101 - 104 Acros Organics
MP 101-104 °C(lit.) Indofine
Melting_Point 102-104? Alfa-Aesar
Melting_Point 102-104° Alfa-Aesar
MP 103 TCI
Mp [°C] 92 - 96 Acros Organics
Mp [°C] 97 - 105 Acros Organics
Melting_Point 98-103? Alfa-Aesar
Melting_Point 98-103° Alfa-Aesar
Mp [°C] 99 - 103 Acros Organics
UniProt Database Links ABFB_ASPKW; ABFB_ASPNG; ABFB_EMENI; ABNA_ASPNG; ARAR_ASPNC; ARAR_EMENI; DCXR_CAEEL; DCXR_HYPJE; LAD_ASPNC; LAD_ASPOZ; LAD_HYPJE; LAD_NEUCR; LAD_PENCW; LAD_TALEM; PRD1_MAGO7 ChEBI
SOLUBILITY H2O: 0.1 g/mL, clear, colorless Indofine
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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