UCSF

ZINC54430654

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 28 Yes

Popular Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4,6-tetrahydropyrimido[4,5-d]pyrimidin-5-one 3-benzyl-7-(3,4-dihydro-1H-isoqu…

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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) 3.62 8 -51.74 1 6 -1 71 372.452 3 ↓
Hi High (pH 8-9.5) 2.99 10.31 -12.01 2 6 0 64 373.46 3 ↓
Mid Mid (pH 6-8) 3.62 8.35 -23.9 2 6 0 72 373.46 3 ↓
Mid Mid (pH 6-8) 3.62 10.28 -31.14 2 6 0 72 373.46 3 ↓

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Rings

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

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