UCSF

ZINC69946658

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 Yes

Popular Name: (1S)-2-(5-ethyl-2-thienyl)-1-(3-furyl)-N-methyl-ethanamine (1S)-2-(5-ethyl-2-thienyl)-1-(3-…

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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) 3.12 7.38 -43.33 2 2 1 30 236.36 5 ↓
Hi High (pH 8-9.5) 3.12 6.27 -4.27 1 2 0 25 235.352 5 ↓

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

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