UCSF

ZINC69515368

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 25 Yes

Popular Name: 1-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl 1-[3-[(2-methylimidazol-1-yl)met…

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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) 1.50 8.98 -65.34 3 6 1 64 337.451 6 ↓
Hi High (pH 8-9.5) 1.50 7.8 -12.63 2 6 0 60 336.443 6 ↓
Mid Mid (pH 6-8) 1.50 9.46 -112.55 4 6 2 66 338.459 6 ↓
Lo Low (pH 4.5-6) 1.50 9.62 -169.66 5 6 3 67 339.467 6 ↓

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

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