UCSF

ZINC37818499

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 Yes

Popular Name: 2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide 2-amino-N,3-dimethyl-N-{5H,6H,7H…

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CAS Number: 1218462-71-5

Other Names:

MFCD12885232

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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) -0.91 4.54 -53.27 3 6 1 79 252.342 4 ↓
Hi High (pH 8-9.5) -0.91 4.13 -21.8 2 6 0 77 251.334 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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