UCSF

ZINC52416527

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 Yes

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

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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) 1.90 5.33 -43.32 2 4 1 46 278.401 5 ↓
Hi High (pH 8-9.5) 1.90 3.95 -7.47 1 4 0 41 277.393 5 ↓
Mid Mid (pH 6-8) 1.90 7.52 -103.16 3 4 2 47 279.409 5 ↓

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

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