UCSF

ZINC04095649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 Yes

Other Names:

MFCD00136302

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) -3.72 -10.35 -11.93 5 6 0 118 180.156 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014050A2; EP0039127A2; EP0044186A1; EP0076118A1; EP0079206A1; EP0091223A1; EP0098642A2; EP0100382A1; EP0109203A1; EP0139486A2; EP0152856A2; EP0163431A2; EP0189427A1; EP0189722A1; EP0221728A2; EP0221728B1; EP0222835A1; EP0222835B2; EP0231752A2; EP023448 IBM Patent Data

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