UCSF

ZINC11822105

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 30 Yes

Popular Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-3-[(6-methyl-2-pyridyl)methyl]-3,7-diazaspiro[4.5]decan-6-one (5S)-7-[(2,3-dimethoxyphenyl)met…

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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) 1.80 0.85 -35.64 1 6 1 56 410.538 6 ↓
Lo Low (pH 4.5-6) 1.80 0.86 -103.39 2 6 2 57 411.546 6 ↓

Activity (Go SEA)

Rings

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