UCSF

ZINC19453723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

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

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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) 3.49 8.5 -30.68 1 5 1 43 387.935 4 ↓
Hi High (pH 8-9.5) 3.49 8.14 -7.03 0 5 0 41 386.927 4 ↓
Lo Low (pH 4.5-6) 3.49 10.78 -106.48 2 5 2 44 388.943 4 ↓

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

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