UCSF

ZINC01532658

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 Yes

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) -2.73 -1.57 -86.7 3 6 -1 117 173.148 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links FTCD_CHICK; FTCD_DICDI; FTCD_HUMAN; FTCD_MOUSE; FTCD_PIG; FTCD_RAT; HALL_DICDI; HUTG_AERHH; HUTG_AERS4; HUTG_AROAE; HUTG_BACHD; HUTG_BACSU; HUTG_BORBR; HUTG_BURPP; HUTG_BURXL; HUTG_CHRVO; HUTG_CITK8; HUTG_CLOTE; HUTG_COREF; HUTG_CUPNH; HUTG_CUPPJ; HUTG_EN ChEBI
Reactome Database Links REACT_485; REACT_573 ChEBI
PUBCHEM_PATENT_ID US5800979 IBM Patent Data

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Histidine catabolism

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