UCSF

ZINC54931593

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 14 Yes

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

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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) 1.80 3.26 -41.91 2 2 1 20 209.338 1 ↓
Mid Mid (pH 6-8) 1.80 1.58 -2.85 1 2 0 15 208.33 1 ↓
Lo Low (pH 4.5-6) 1.80 5.3 -117.54 3 2 2 21 210.346 1 ↓

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

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