UCSF

ZINC67739493

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 19 Yes

Popular Name: 4-[(5S)-3,7-diazaspiro[4.5]decan-3-yl]-6-methoxy-pyrimidin-2-amine 4-[(5S)-3,7-diazaspiro[4.5]decan…

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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) 0.48 3.52 -47.82 4 6 1 81 264.353 2 ↓
Lo Low (pH 4.5-6) 0.48 4.44 -83.15 5 6 2 82 265.361 2 ↓
Lo Low (pH 4.5-6) 0.48 3.91 -90.91 5 6 2 82 265.361 2 ↓

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

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