UCSF

ZINC02047767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 15 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) 6.06 11.19 -0.78 0 0 0 0 206.373 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.19e-02 g/l DrugBank-experimental
UniProt Database Links 5EAS1_NICAT; 5EAS2_NICAT; 5EAS3_NICAT; 5EAS4_NICAT; 5EAS_CAPAN; 5EAS_TOBAC; ACSS_MAIZE; AFS1_MALDO; AFSY1_CUCME; AL3B1_BOVIN; AL3B1_HUMAN; AL3B1_MOUSE; AL3B1_RAT; AMS1_ARTAN; CARS_ARTAN; CENPE_HUMAN; CENPE_MOUSE; CENPF_HUMAN; CHR2_SCHPO; CLDS_CISCR; CLN3_ ChEBI
PUBCHEM_PATENT_ID EP0315913A1; EP0315913B1; EP0540782A1; EP0540782B1; US4214909; US4939171; US5466461; US5827838 IBM Patent Data

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