UCSF

ZINC53391398

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Substance Information

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

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

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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) 1.98 5.4 -41.35 2 3 1 29 281.445 5 ↓
Hi High (pH 8-9.5) 1.98 3.99 -4.75 1 3 0 24 280.437 5 ↓
Lo Low (pH 4.5-6) 1.98 7.46 -119.25 3 3 2 30 282.453 5 ↓

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

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