UCSF

ZINC54822202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 18 Yes

Popular Name: (1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-methyl-1H-imidazol-4-yl)methyl]ethan (1S)-1-(6,7-dihydro-5H-pyrrolo[2…

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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) -0.19 5.54 -42.31 3 6 1 76 247.326 4 ↓
Hi High (pH 8-9.5) -0.19 4.38 -18.61 2 6 0 71 246.318 4 ↓
Lo Low (pH 4.5-6) -0.19 5.96 -106.53 4 6 2 77 248.334 4 ↓

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

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