UCSF

ZINC55119338

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 8-[2-[(2S,6R)-2,6-dimethyl-1-piperidyl]acetyl]-2-isopentyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one 8-[2-[(2S,6R)-2,6-dimethyl-1-pip…

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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) 2.54 8.05 -48.78 2 6 1 66 377.553 5 ↓
Hi High (pH 8-9.5) 2.54 5.92 -17.92 1 6 0 65 376.545 5 ↓
Lo Low (pH 4.5-6) 2.54 8.76 -90.3 3 6 2 68 378.561 5 ↓

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Rings

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

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