UCSF

ZINC38130178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 18 Yes

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(o-tolyl)ethanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.19 8.6 -40.34 3 1 1 28 258.41 3 ↓
Hi High (pH 8-9.5) 2.19 8.29 -3.5 2 1 0 26 257.402 3 ↓

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

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