UCSF

ZINC37065711

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 22 Yes

Popular Name: (1S)-4-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-3,5-diazaspiro[5.5]undec-3-ene-1-carbonitrile (1S)-4-[(3S,5S)-3,5-dimethyl-1-p…

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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) 2.98 8.89 -13.98 1 5 0 68 302.422 1 ↓
Lo Low (pH 4.5-6) 2.98 9.46 -33.33 2 5 1 70 303.43 1 ↓

Activity (Go SEA)

Rings

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