UCSF

ZINC51480520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 20 Yes

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

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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) 2.97 8.06 -37.7 2 3 1 33 288.44 4 ↓
Mid Mid (pH 6-8) 2.97 7.1 -27.8 2 3 1 29 288.44 4 ↓
Lo Low (pH 4.5-6) 2.97 8.47 -105.42 3 3 2 34 289.448 4 ↓

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

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