UCSF

ZINC34234115

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 16 Yes

Popular Name: (1R,2R)-N-methyl-2-pyrrolidin-1-yl-indan-1-amine (1R,2R)-N-methyl-2-pyrrolidin-1-…

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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) 2.09 6.15 -33.34 2 2 1 16 217.336 2 ↓
Mid Mid (pH 6-8) 2.09 7.38 -109.4 3 2 2 21 218.344 2 ↓
Mid Mid (pH 6-8) 2.09 4.74 -36.98 2 2 1 20 217.336 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5348971; US5436244 IBM Patent Data

Activity (Go SEA)

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