UCSF

ZINC00000055

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 22 Yes

Popular Name: INN) INN)

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Other Names:

pin(e)

Atromepine (DCF

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) 2.56 0.37 -40.97 2 4 1 50 304.41 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1021204A2; US5446070; US5656286; US5719197; US6024976; WO1996040086A2; WO1999015210A2; WO2000048636A1 IBM Patent Data

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Rings

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