UCSF

ZINC69519280

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 Yes

Popular Name: 5-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[(2-methyl-6,8-dihydro-5H-pyri…

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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) 0.60 5.13 -54.89 1 7 1 82 309.353 3 ↓
Mid Mid (pH 6-8) 0.60 2.88 -14.42 0 7 0 81 308.345 3 ↓
Lo Low (pH 4.5-6) 0.60 5.58 -101.01 2 7 2 83 310.361 3 ↓

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

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