UCSF

ZINC58313637

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 26 Yes

Popular Name: N-methyl-N-phenyl-5-[[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]pyrid N-methyl-N-phenyl-5-[[[(6S)-4,5,…

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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) 2.69 9.16 -59.72 3 6 1 63 349.462 6 ↓
Mid Mid (pH 6-8) 2.69 9.32 -104.65 4 6 2 64 350.47 6 ↓
Lo Low (pH 4.5-6) 2.69 8.99 -191.11 5 6 3 65 351.478 6 ↓

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

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