UCSF

ZINC00020246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 23 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) 4.89 11 -40.69 1 3 1 19 329.489 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.25e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0000306A1; EP0174342A1; EP0215313B1; EP0216936A1; EP0315079A1; EP0315079B1; EP0418386A1; EP0418386B1; EP0427396A2; EP0427396B1; EP0493513B1; EP0556394A1; EP0617618A1; EP0637448A1; EP0665009A1; EP0665009B1; EP0705298A1; EP0797424A1; EP0797424B1; EP090610 IBM Patent Data
Patent Database Links EP1627639; EP1938803; US2005080075; WO2007112581; WO2008116308 ChEBI

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