UCSF

ZINC67491287

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5R)-7-[(3,4-difluorophenyl)methyl]-3-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]de (5R)-7-[(3,4-difluorophenyl)meth…

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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) 3.40 9.84 -56.52 1 4 1 33 405.538 5 ↓
Hi High (pH 8-9.5) 3.40 7.75 -9.35 0 4 0 32 404.53 5 ↓
Lo Low (pH 4.5-6) 3.40 10.24 -49.41 1 4 1 33 405.538 5 ↓

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

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