UCSF

ZINC69815836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 Yes

Popular Name: 4-[4-(2-methoxyethyl)piperazin-1-yl]-2-(4-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine 4-[4-(2-methoxyethyl)piperazin-1…

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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) 1.82 6.57 -8.38 0 6 0 54 339.443 5 ↓
Mid Mid (pH 6-8) 1.82 9.21 -82.86 2 6 2 57 341.459 5 ↓
Mid Mid (pH 6-8) 1.82 6.92 -31.08 1 6 1 56 340.451 5 ↓
Mid Mid (pH 6-8) 1.82 8.86 -40.22 1 6 1 56 340.451 5 ↓

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Rings

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

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