UCSF

ZINC37328658

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 Yes

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

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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) 1.97 4.67 -14.18 2 4 0 58 289.335 4 ↓
Hi High (pH 8-9.5) 2.43 2.04 -48.32 1 4 -1 61 288.327 4 ↓
Mid Mid (pH 6-8) 1.97 6.03 -65.19 3 4 1 62 290.343 4 ↓

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

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