UCSF

ZINC61363325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 19 Yes

Popular Name: 2-[[[(1S)-1-(3-thienyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-(3-thienyl)ethyl]ami…

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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) 1.95 5.49 -55.52 3 4 1 62 292.409 4 ↓
Hi High (pH 8-9.5) 2.41 1.69 -48.64 1 4 -1 61 290.393 4 ↓
Hi High (pH 8-9.5) 2.41 2.88 -48.37 2 4 0 65 291.401 4 ↓
Mid Mid (pH 6-8) 1.95 3.77 -22.52 2 4 0 58 291.401 4 ↓

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Rings

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

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