UCSF

ZINC08700931

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 15 Yes

Popular Name: 4-Methyl-3-pyrrolidin-1-yl-benzoic acid 4-Methyl-3-pyrrolidin-1-yl-benzo…

Find On: PubMed — Wikipedia — Google

CAS Number: 107946-74-7

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) 2.73 5 -53.82 0 3 -1 43 204.249 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 163-165° Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4921875 IBM Patent Data

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