UCSF

ZINC65562177

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 29 Yes

Popular Name: 3-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-2-(3-pyridyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin- 3-[[(4-ethoxyphenyl)methyl-methy…

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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) 3.30 11.39 -39.39 1 6 1 61 391.495 7 ↓
Hi High (pH 8-9.5) 3.30 9.79 -11.1 0 6 0 60 390.487 7 ↓
Lo Low (pH 4.5-6) 3.30 11.84 -119.77 2 6 2 63 392.503 7 ↓

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

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