UCSF

ZINC11818744

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 Yes

Popular Name: 1-[(5S)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-(4-pyridylsulfanyl)ethanone 1-[(5S)-9-(m-tolylmethyl)-2,9-di…

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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) 2.89 -0.21 -44.34 1 4 1 38 396.58 5 ↓
Lo Low (pH 4.5-6) 2.89 -0.1 -84.92 2 4 2 39 397.588 5 ↓

Activity (Go SEA)

Rings

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