UCSF

ZINC19453701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 28 Yes

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

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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) 3.11 8 -34.62 1 5 1 43 389.47 4 ↓
Hi High (pH 8-9.5) 3.11 7.65 -8.38 0 5 0 41 388.462 4 ↓
Lo Low (pH 4.5-6) 3.11 10.35 -116.71 2 5 2 44 390.478 4 ↓

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

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