UCSF

ZINC55061193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 Yes

Popular Name: (5S)-9-(2-methoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (5S)-9-(2-methoxyethyl)-2-[(3,4,…

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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) 1.99 7.36 -49.17 1 6 1 45 379.521 8 ↓
Hi High (pH 8-9.5) 1.99 4.92 -8.59 0 6 0 43 378.513 8 ↓
Mid Mid (pH 6-8) 1.99 6.84 -42.76 1 6 1 45 379.521 8 ↓

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

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