UCSF

ZINC52505179

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 20 Yes

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

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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) 2.40 5.79 -38.99 2 3 1 33 308.496 5 ↓
Hi High (pH 8-9.5) 2.40 4.41 -6.65 1 3 0 28 307.488 5 ↓
Lo Low (pH 4.5-6) 2.40 7.86 -91.74 3 3 2 34 309.504 5 ↓

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

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