UCSF

ZINC67514778

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: 7,10-dimethyl-3-[[3-[(1R)-1-methylpropoxy]phenyl]methyl]-3,7,10-triazaspiro[5.5]undecane 7,10-dimethyl-3-[[3-[(1R)-1-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 10.38 -97.44 2 4 2 21 347.547 5 ↓
Hi High (pH 8-9.5) 3.40 7.92 -35.9 1 4 1 20 346.539 5 ↓
Hi High (pH 8-9.5) 3.40 8.14 -34.93 1 4 1 20 346.539 5 ↓
Hi High (pH 8-9.5) 3.40 6.21 -3.45 0 4 0 19 345.531 5 ↓
Mid Mid (pH 6-8) 3.40 8.45 -39.82 1 4 1 20 346.539 5 ↓

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

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