UCSF

ZINC02508226

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

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) -2.64 -9.05 -12.34 5 6 0 118 180.156 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 143-146? Alfa-Aesar
Melting_Point 143-146° Alfa-Aesar
MP 149 TCI
UniProt Database Links ALSA_ECOLI; ALSB_ECOLI; ALSC_ECOLI; ALSE_ECOLI; ALSK_ECOLI; GLCD2_PICTO; P2OX_PHLGI; RPIB_ECOLI; RPIB_MYCTU ChEBI
Patent Database Links EP1538200; EP1757296; EP1785430; EP1905442; EP1964568; EP1995323; US2002016300; US2004082807; US2005171028; US2005267169; US2006079466; US2006079713; US2006280688; WO2005020881; WO2008142155 ChEBI

Activity (Go SEA)

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

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