UCSF

ZINC69820189

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 26 Yes

Popular Name: 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]methyl]indolizine-1-carbonitrile 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-…

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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) 1.54 12.77 -55.71 1 6 1 63 349.462 4 ↓
Hi High (pH 8-9.5) 1.54 10.55 -18.68 0 6 0 62 348.454 4 ↓
Lo Low (pH 4.5-6) 1.54 13.2 -101.54 2 6 2 65 350.47 4 ↓

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

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