UCSF

ZINC04189387

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 31 Yes

Popular Name: 2-(3-hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 2-(3-hydroxypropyl)-7-(4-methoxy…

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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) 1.73 6.93 -14.48 3 9 0 114 420.473 7 ↓
Mid Mid (pH 6-8) 1.91 7.23 -52.54 4 9 1 119 421.481 7 ↓
Lo Low (pH 4.5-6) 1.73 -3.73 -43.81 4 9 1 115 421.481 7 ↓

Activity (Go SEA)

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