UCSF

ZINC70304151

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 17 Yes

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

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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) 0.44 1.79 -58.6 3 5 1 66 253.351 5 ↓
Hi High (pH 8-9.5) 0.44 0.62 -11.58 2 5 0 61 252.343 5 ↓
Lo Low (pH 4.5-6) 0.44 4.35 -131.66 4 5 2 67 254.359 5 ↓

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

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