UCSF

ZINC20119116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 27 Yes

Popular Name: (5S)-7-[(2-fluoro-5-methoxy-phenyl)methyl]-3-[(4-methyl-1H-imidazol-2-yl)methyl]-3,7-diazaspiro[4.5] (5S)-7-[(2-fluoro-5-methoxy-phen…

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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) 2.24 8.91 -78.87 3 5 2 47 374.504 5 ↓
Hi High (pH 8-9.5) 2.24 6.99 -28.14 2 5 1 46 373.496 5 ↓
Hi High (pH 8-9.5) 2.24 6.19 -10.05 1 5 0 44 372.488 5 ↓
Mid Mid (pH 6-8) 2.24 8.02 -42.51 2 5 1 46 373.496 5 ↓

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Rings

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

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