UCSF

ZINC62953497

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (1S,2R,4S)-2-(8-azaspiro[4.5]decan-8-yl)-4-ethyl-cyclohexanamine (1S,2R,4S)-2-(8-azaspiro[4.5]dec…

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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) 3.18 8.7 -122.5 4 2 2 32 266.473 2 ↓
Hi High (pH 8-9.5) 3.18 7.06 -41.66 3 2 1 31 265.465 2 ↓
Mid Mid (pH 6-8) 3.18 8.76 -28.5 3 2 1 30 265.465 2 ↓

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

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