UCSF

ZINC53391514

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N-(3-furylmethyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanamine N-(3-furylmethyl)-2-[(4R)-4-meth…

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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) 2.30 6.02 -45.14 2 3 1 33 277.413 5 ↓
Hi High (pH 8-9.5) 2.30 4.67 -4.68 1 3 0 28 276.405 5 ↓
Lo Low (pH 4.5-6) 2.30 8.08 -125.05 3 3 2 34 278.421 5 ↓

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

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