UCSF

ZINC01529214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 No

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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) -2.22 -8.33 -8.99 4 5 0 90 150.13 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.22e+03 g/l DrugBank-experimental
Melting_Point 147-151? Alfa-Aesar
Melting_Point 147-151° Alfa-Aesar
Mp [°C] 148 - 153 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
UniProt Database Links AGUA_ASPNG; ALSA_ECOLI; AMML_ASTMO; ARADH_AZOBR; ARAG1_BURCA; ARAG1_BURCH; ARAG1_BURCM; ARAG1_BURS3; ARAG1_BURTA; ARAG2_BURCA; ARAG2_BURCH; ARAG2_BURCM; ARAG2_BURS3; ARAG2_BURTA; ARAG_AZOBR; ARAG_BACHD; ARAG_BURMA; ARAG_BURP1; ARAG_BURPS; ARAG_BURXL; ARAG ChEBI
UniProt Database Links GH31A_BACO1; IABF_GEOSE ChEBI

Activity (Go SEA)

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