UCSF

ZINC03869281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) -4.29 -1.12 -142.45 3 7 -2 140 183.056 4
Lo Low (pH 4.5-6) -4.29 -2.26 -64.94 4 7 -1 137 184.064 4

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 14331_ARATH; 14334_ARATH; 14335_ARATH; 14339_ARATH; 1433B_BOVIN; 1433B_CHICK; 1433B_HUMAN; 1433B_MACFA; 1433B_MOUSE; 1433B_PONAB; 1433B_RAT; 1433B_SHEEP; 1433B_XENTR; 1433E_BOVIN; 1433E_CHICK; 1433E_DROME; 1433E_HUMAN; 1433E_MOUSE; 1433E_RAT; 1433E_SHEEP ChEBI
Patent Database Links EP1090909; US2002052422; US2003012817; US2003181390; US2004138255; US2006079517; US2006160068; US2006276408; US2007196883; US2008268123 ChEBI
UniProt Database Links PLPP_BOVIN; PLPP_HUMAN; PLPP_MOUSE; PLPP_RAT; PSPA_HYDTT; PSPB_HYDTT; RSBP_BACSU; RSBU_BACSU; RSBX_BACSU; SERB_ARATH; SERB_ARCFU; SERB_BOVIN; SERB_DROME; SERB_ECO57; SERB_ECOLI; SERB_HAEIN; SERB_HUMAN; SERB_METJA; SERB_MOUSE; SERB_MYCA1; SERB_PONAB; SERB_ ChEBI

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

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