UCSF

ZINC67946530

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: (5S)-1-ethyl-5-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-car (5S)-1-ethyl-5-[2-(1,2,3,5,6,7-h…

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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) 2.17 9.53 -123.3 3 6 1 79 347.483 6 ↓
Hi High (pH 8-9.5) 2.17 8.37 -74.83 2 6 0 74 346.475 6 ↓
Mid Mid (pH 6-8) 2.17 7.29 -77.56 2 6 0 78 346.475 6 ↓

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

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