UCSF

ZINC49556788

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 2-[[[(1R)-1-(p-tolyl)ethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1R)-1-(p-tolyl)ethyl]amino…

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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) 2.82 6.17 -12.75 2 4 0 58 299.399 4 ↓
Hi High (pH 8-9.5) 3.27 3.54 -49.48 1 4 -1 61 298.391 4 ↓
Mid Mid (pH 6-8) 2.82 7.24 -55.21 3 4 1 62 300.407 4 ↓

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

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