UCSF

ZINC67514971

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]-3,7-diazaspiro[4.5]decane (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) 1.97 8.56 -42.75 1 6 1 44 385.532 6 ↓
Hi High (pH 8-9.5) 1.97 6.5 -9.73 0 6 0 43 384.524 6 ↓
Mid Mid (pH 6-8) 1.97 9.02 -45.12 1 6 1 44 385.532 6 ↓
Lo Low (pH 4.5-6) 1.97 11.07 -110.12 2 6 2 45 386.54 6 ↓

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

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