UCSF

ZINC67946903

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 26 Yes

Popular Name: (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]a (2R)-2-(dimethylamino)-2-(4-fluo…

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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) 1.75 6.13 -17.96 1 6 0 69 374.441 5 ↓
Hi High (pH 8-9.5) 2.21 3.36 -62.07 0 6 -1 72 373.433 5 ↓
Lo Low (pH 4.5-6) 1.75 8.31 -51.43 2 6 1 70 375.449 5 ↓

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

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