UCSF

ZINC37328629

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 Yes

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

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Annotations

None

Vendors

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) 2.82 3.96 -47.79 2 4 0 65 285.372 4 ↓
Hi High (pH 8-9.5) 2.82 2.84 -49.25 1 4 -1 61 284.364 4 ↓
Mid Mid (pH 6-8) 2.37 5.48 -12.01 2 4 0 58 285.372 4 ↓
Mid Mid (pH 6-8) 2.37 6.58 -55.18 3 4 1 62 286.38 4 ↓

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Rings

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

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