UCSF

ZINC52416526

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

Popular Name: 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[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) 1.53 4.47 -44.21 2 4 1 46 264.374 4 ↓
Hi High (pH 8-9.5) 1.53 3.02 -7.62 1 4 0 41 263.366 4 ↓
Mid Mid (pH 6-8) 1.53 6.66 -103.18 3 4 2 47 265.382 4 ↓

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

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