UCSF

ZINC42259746

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 19 Yes

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

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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) 0.55 2.91 -59.66 2 6 0 83 275.337 5 ↓
Hi High (pH 8-9.5) 0.55 1.57 -51.05 1 6 -1 79 274.329 5 ↓
Hi High (pH 8-9.5) 0.09 4.19 -16.8 2 6 0 76 275.337 5 ↓
Mid Mid (pH 6-8) 0.09 4.7 -44.96 3 6 1 77 276.345 5 ↓
Mid Mid (pH 6-8) 0.09 5.55 -68.89 3 6 1 80 276.345 5 ↓
Lo Low (pH 4.5-6) 0.09 6.06 -124.91 4 6 2 81 277.353 5 ↓

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

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