UCSF

ZINC42437193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 Yes

Popular Name: 2-[[(4-bromophenyl)methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[(4-bromophenyl)methylamino]m…

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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) 2.62 5.23 -13.38 2 4 0 58 350.241 4 ↓
Hi High (pH 8-9.5) 3.07 2.6 -47.86 1 4 -1 61 349.233 4 ↓
Mid Mid (pH 6-8) 2.62 4.68 -24.27 2 4 0 58 350.241 4 ↓
Mid Mid (pH 6-8) 2.62 6.59 -64.23 3 4 1 62 351.249 4 ↓

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

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