UCSF

ZINC77312081

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2012 41 No

Popular Name: Ouabain Ouabain

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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) -2.18 -4.99 -20.45 8 12 0 207 584.659 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0007474A1; EP0108147A1; EP0113778A1; EP0143274A1; EP0253270A2; EP0253270B1; EP0256713A2; EP0265519A1; EP0265519B1; EP0296883A1; EP0298755A1; EP0319206A2; EP0392608A2; EP0392608B1; EP0442744A2; EP0442744A3; EP0527840B1; EP0583976A2; EP0583976A3; EP059395 IBM Patent Data

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

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