UCSF

ZINC67435213

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: 2-ethyl-1-[10-[(E)-3-(2-furyl)allyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-3-yl]butan-1-one 2-ethyl-1-[10-[(E)-3-(2-furyl)al…

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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) 3.60 9.49 -49.04 1 5 1 41 374.549 6 ↓
Mid Mid (pH 6-8) 3.60 7.79 -10.78 0 5 0 40 373.541 6 ↓
Mid Mid (pH 6-8) 3.60 9.54 -46.48 1 5 1 41 374.549 6 ↓

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

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