UCSF

ZINC34318203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 21 Yes

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Vendors

    None

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) 2.23 6.6 -11.82 1 5 0 68 288.347 4
Mid Mid (pH 6-8) 2.23 6.59 -8.48 1 5 0 68 288.347 4
Lo Low (pH 4.5-6) 2.23 6.32 -33.96 2 5 1 69 289.355 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0158000A1; EP0158000B1; EP0181852A1; EP0182769A1; EP0188815A1; EP0245230A1; EP0249075A1; EP0249770A1; EP0252055A1; EP0252055B1; EP0258201A1; EP0278944A1; EP0278944B1; EP0278945A2; EP0278945B1; EP0290257A2; EP0290257B1; EP0295233A2; EP0354202A2; EP035420 IBM Patent Data
PUBCHEM_PATENT_ID US5591693; US5705454; US5817601 IBM Patent Data

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