UCSF

ZINC19453661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: 2-isopropyl-7-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4 2-isopropyl-7-[[2-(2-methoxyethy…

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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) 1.57 9.3 -117.56 2 7 2 70 398.555 7 ↓
Hi High (pH 8-9.5) 1.57 6.62 -11.11 0 7 0 67 396.539 7 ↓
Hi High (pH 8-9.5) 1.57 6.97 -32.16 1 7 1 69 397.547 7 ↓
Mid Mid (pH 6-8) 1.57 8.95 -55.98 1 7 1 68 397.547 7 ↓

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

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