UCSF

ZINC67458964

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: 1,4-dimethyl-9-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecane 1,4-dimethyl-9-(2-phenyl-6,7-dih…

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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) 3.61 10.94 -37.4 1 5 1 37 378.544 2 ↓
Hi High (pH 8-9.5) 3.61 10.75 -44.6 1 5 1 37 378.544 2 ↓
Hi High (pH 8-9.5) 3.61 8.7 -7.76 0 5 0 35 377.536 2 ↓
Mid Mid (pH 6-8) 3.61 11.26 -71.92 2 5 2 38 379.552 2 ↓

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Rings

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

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