UCSF

ZINC03861280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 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) -1.64 -9.41 -9.21 4 5 0 90 164.157 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 135-141? Alfa-Aesar
Melting_Point 135-141° Alfa-Aesar
UniProt Database Links 3OAGR_CLOPH; ALDA_ECOLI; AMML_ASTMO; CSL1_ONCKE; CSL2_ONCKE; CSL3_ONCKE; FLRT_CITMA; FUCP_ECOLI; GAHP1_CLOPH; GAHP2_CLOPH; GAUTE_ARATH; GLRP_CLOPH; GM4D_AGGAC; GM4D_ECO57; GM4D_ECOL6; GM4D_ECOLI; GM4D_PSEAE; GM4D_RHIFH; GM4D_RHISN; GM4D_SHIFL; GM4D_VIBCH ChEBI
UniProt Database Links 3OAGR_CLOPH; AMML_ASTMO; CSL1_ONCKE; CSL2_ONCKE; CSL3_ONCKE; FUCP_ECOLI; GAHP1_CLOPH; GAHP2_CLOPH; GLRP_CLOPH; LECT_GANLU; RM1DH_PICST; SAL_SILAS ChEBI
UniProt Database Links 3OAGR_CLOPH; AMML_ASTMO; CSL1_ONCKE; CSL2_ONCKE; CSL3_ONCKE; FUCP_ECOLI; GAHP1_CLOPH; GAHP2_CLOPH; GLRP_CLOPH; LECT_GANLU; RM1DH_PICST; SAL_SILAS; YESW_BACSU ChEBI
Mp [°C] 91 - 93 Acros Organics
Target Others Selleck Chemicals
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2003008833; US2005119169; WO2005075435 ChEBI

Activity (Go SEA)

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

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