UCSF

ZINC49544818

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 Yes

Popular Name: (5S)-N-(2,5-dimethoxyphenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide (5S)-N-(2,5-dimethoxyphenyl)-7-o…

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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) 0.11 2.48 -23.43 2 9 0 111 317.305 4 ↓
Ref Reference (pH 7) 0.10 4.37 -29.06 2 9 0 111 317.305 4 ↓
Mid Mid (pH 6-8) 0.11 3.18 -63.69 1 9 -1 114 316.297 4 ↓
Mid Mid (pH 6-8) 0.10 4.37 -45.83 2 9 0 110 317.305 4 ↓

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Rings

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

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