UCSF

ZINC36125672

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Substance Information

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

Popular Name: 1-(4-methoxyphenyl)-7,8-dimethyl-3-(2-pyridylmethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one 1-(4-methoxyphenyl)-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) 2.61 11.96 -48.91 1 7 1 65 378.456 4 ↓
Mid Mid (pH 6-8) 2.61 10.51 -40.07 1 7 1 65 378.456 4 ↓
Mid Mid (pH 6-8) 2.61 9.89 -13.9 0 7 0 63 377.448 4 ↓

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

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