UCSF

ZINC51480528

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 Yes

Popular Name: N-[[6-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-pyridyl]methyl]propan-2-amine 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) 3.27 8.59 -36.54 2 3 1 33 302.467 4 ↓
Mid Mid (pH 6-8) 3.27 9.01 -103.4 3 3 2 34 303.475 4 ↓
Mid Mid (pH 6-8) 3.27 7.78 -28.04 2 3 1 29 302.467 4 ↓

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Rings

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

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