UCSF

ZINC36125651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 Yes

Popular Name: 1-(4-fluorophenyl)-7,8-dimethyl-3-(2-pyridylmethyl)-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) 2.72 10.68 -13.21 0 6 0 54 365.412 3 ↓
Mid Mid (pH 6-8) 2.72 12.74 -50.14 1 6 1 55 366.42 3 ↓

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

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