UCSF

ZINC14245076

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 25 Yes

Popular Name: 2-[(4-benzoylpiperazin-1-yl)methyl]-3H-thieno[2,3-e]pyrimidin-4-one 2-[(4-benzoylpiperazin-1-yl)meth…

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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) 1.56 4.58 -50.94 0 6 -1 72 353.427 3 ↓
Mid Mid (pH 6-8) 1.11 5.66 -20.59 1 6 0 69 354.435 3 ↓
Mid Mid (pH 6-8) 1.56 5.23 -56.95 1 6 0 74 354.435 3 ↓
Lo Low (pH 4.5-6) 1.11 7.87 -62.47 2 6 1 70 355.443 3 ↓

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Rings

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

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