UCSF

ZINC19453683

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 5-[(2-isopropyl-4-morpholino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-2-methoxy-phenol 5-[(2-isopropyl-4-morpholino-6,8…

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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) 2.19 4.76 -35.63 2 7 1 72 399.515 5 ↓
Hi High (pH 8-9.5) 2.19 4.41 -13.13 1 7 0 71 398.507 5 ↓
Mid Mid (pH 6-8) 2.19 7.14 -119.73 3 7 2 73 400.523 5 ↓
Lo Low (pH 4.5-6) 2.19 6.79 -56.49 2 7 1 72 399.515 5 ↓

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Rings

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

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