UCSF

ZINC37228708

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 Yes

Popular Name: N-[(S)-(5-chloro-2-thienyl)-(2-furyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(S)-(5-chloro-2-thienyl)-(2-f…

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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) 3.67 7.93 -36.54 2 3 1 30 311.858 6 ↓
Hi High (pH 8-9.5) 3.67 5.47 -4.55 1 3 0 28 310.85 6 ↓
Lo Low (pH 4.5-6) 3.67 9.17 -114.59 3 3 2 34 312.866 6 ↓

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