UCSF

ZINC62963621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 9 Yes

Popular Name: Cyclopropyl-pyrrolidin-3-yl-amine Cyclopropyl-pyrrolidin-3-yl-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1228458-66-9 , 1289584-81-1 , 1396762-12-1 , 577776-80-8

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) 0.37 0.88 -33.27 3 2 1 29 127.211 2 ↓
Hi High (pH 8-9.5) 0.37 1.21 -35.01 3 2 1 29 127.211 2 ↓
Lo Low (pH 4.5-6) 0.37 2.32 -103.69 4 2 2 33 128.219 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Rings

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

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