UCSF

ZINC52382981

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Popular Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-furyl]methanamine [2-(6,7-dihydro-4H-thieno[3,2-c]…

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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) 1.38 3.64 -48.33 3 3 1 44 249.359 3 ↓
Hi High (pH 8-9.5) 1.38 3.22 -5.13 2 3 0 42 248.351 3 ↓
Lo Low (pH 4.5-6) 1.38 5.83 -119.1 4 3 2 45 250.367 3 ↓

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

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