UCSF

ZINC48787858

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 21 Yes

Popular Name: 2-[[2-(aminomethyl)-6-bromo-phenoxy]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[2-(aminomethyl)-6-bromo-phen…

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Download: MOL2 SDF SMILES Flexibase

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) 2.40 4.02 -56.53 4 5 1 83 367.248 4 ↓
Hi High (pH 8-9.5) 2.86 1.24 -56.07 2 5 -1 84 365.232 4 ↓
Mid Mid (pH 6-8) 2.86 1.67 -74.46 3 5 0 86 366.24 4 ↓

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

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