UCSF

ZINC00949744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 35 Yes

Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-2-phenyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7S)-7-(3,4-dimethoxyphenyl)-5-m…

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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) 3.52 11.83 -14.39 2 9 0 103 468.517 6 ↓
Hi High (pH 8-9.5) 3.69 11.61 -47.9 1 9 -1 105 467.509 6 ↓
Mid Mid (pH 6-8) 3.69 12.13 -38.03 3 9 1 108 469.525 6 ↓

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