UCSF

ZINC62912022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 17 Yes

Popular Name: (4S)-4-methyl-5-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (4S)-4-methyl-5-[[(3R)-3-methylp…

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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) 2.70 6.09 -42 2 2 1 20 251.419 2 ↓
Lo Low (pH 4.5-6) 2.70 7.57 -103.9 3 2 2 21 252.427 2 ↓

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

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