UCSF

ZINC01871349

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 Yes

Popular Name: 1-Propanone, 3-(1-pyrrolidinyl)-1-(2-thienyl)-; 3-(1-Pyrrolidinyl)-1-(2-thienyl)-1-propanone; LS-123177 1-Propanone, 3-(1-pyrrolidinyl)-…

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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) 2.06 7.31 -37.78 1 2 1 22 210.322 4 ↓
Hi High (pH 8-9.5) 2.06 4.85 -5.91 0 2 0 20 209.314 4 ↓

Vendor Notes

Note Type Comments Provided By
mp 234 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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