UCSF

ZINC00001332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 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) -0.67 -2.95 -11.22 3 7 0 105 246.194 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0021231A2; EP0045944A1; EP0048022A2; EP0111299A1; EP0180188A2; EP0180188B1; EP0316704B1; EP0443028A1; EP0443028B1; EP0488718A2; EP0488718B1; EP0550580A1; EP0550580B1; EP0602454A1; EP0602454B1; EP0698611A1; EP0698611B1; EP0725641A1; EP0725641B1; EP072690 IBM Patent Data

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