UCSF

ZINC21981480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 7 Yes

Popular Name: 3-(methylamino)pyrrolidine 3-(methylamino)pyrrolidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132920-84-4 , 139015-32-0 , 34352-59-5 , 83030-08-4 , N/A

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) 0.00 -0.65 -35.29 3 2 1 29 101.173 1 ↓
Hi High (pH 8-9.5) 0.00 -0.45 -35.25 3 2 1 29 101.173 1 ↓
Lo Low (pH 4.5-6) 0.00 0.81 -103.67 4 2 2 33 102.181 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 165 TCI
Melting_Point 246-250? Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0787720A1; US5910498 IBM Patent Data

Activity (Go SEA)

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

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