UCSF

ZINC01604249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 20 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) -0.77 -5.45 -14.66 5 9 0 140 281.272 2
Lo Low (pH 4.5-6) -0.77 -5.18 -32.74 6 9 1 141 282.28 2
Lo Low (pH 4.5-6) -0.77 -9.28 -30.25 6 9 1 141 282.28 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0147689A2; EP0238672A1; EP0269574A2; EP0269574B1; EP0311694A1; EP0311694B1; EP0490818A1; EP0490818B1; EP0506892A1; EP0506892B1; EP0579771A1; EP0594578A1; EP0594578B1; EP0601322A2; EP0601322A3; EP0639584B1; EP0649411A1; EP0758386A1; EP0792375A1; EP082434 IBM Patent Data

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