UCSF

ZINC61457151

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 Yes

Popular Name: (8S,9R)-N9-(cyclobutylmethyl)-N8,N9-dimethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N9-(cyclobutylmethyl)-N8…

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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) 1.69 5.62 -29.71 2 4 1 35 269.409 4 ↓
Hi High (pH 8-9.5) 1.69 3.18 -2.8 1 4 0 34 268.401 4 ↓
Hi High (pH 8-9.5) 1.69 4.77 -35.12 2 4 1 38 269.409 4 ↓
Lo Low (pH 4.5-6) 1.69 6.73 -111.91 3 4 2 40 270.417 4 ↓

Activity (Go SEA)

Rings

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

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