UCSF

ZINC70162421

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 16 Yes

Popular Name: tert-butyl 2-(3-aminopropyl)pyrrolidine-1-carboxylate tert-butyl 2-(3-aminopropyl)pyrr…

Find On: PubMed — Wikipedia — Google

CAS Number: 887587-47-5

Other Names:

MFCD06656818

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) 1.11 4.2 -45.47 3 4 1 57 229.344 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP1056733A1; WO1999042458A1 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.