UCSF

ZINC19453707

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 30 Yes

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

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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) 3.73 8.65 -29.11 1 5 1 43 421.487 5 ↓
Hi High (pH 8-9.5) 3.73 8.31 -8.37 0 5 0 41 420.479 5 ↓
Mid Mid (pH 6-8) 3.73 11.03 -115.4 2 5 2 44 422.495 5 ↓
Lo Low (pH 4.5-6) 3.73 10.69 -53.55 1 5 1 43 421.487 5 ↓

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Rings

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

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