UCSF

ZINC36125655

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 Yes

Popular Name: 1-(4-fluorophenyl)-7,8-dimethyl-3-(2-morpholinoethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 1-(4-fluorophenyl)-7,8-dimethyl-…

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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) 2.37 10.13 -53.87 1 7 1 55 388.467 4 ↓
Mid Mid (pH 6-8) 2.37 8.05 -11.78 0 7 0 54 387.459 4 ↓
Lo Low (pH 4.5-6) 2.37 10.33 -48.93 1 7 1 55 388.467 4 ↓

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

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