UCSF

ZINC61456584

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 18 Yes

Popular Name: (7S,8S)-N7-(cyclobutylmethyl)-N7-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-(cyclobutylmethyl)-N7…

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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) 0.78 4.53 -122.12 4 4 2 51 256.39 3 ↓
Hi High (pH 8-9.5) 0.78 2.66 -41.19 3 4 1 49 255.382 3 ↓
Hi High (pH 8-9.5) 0.78 2.48 -2.8 2 4 0 48 254.374 3 ↓
Mid Mid (pH 6-8) 0.78 4.23 -33.53 3 4 1 49 255.382 3 ↓

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Rings

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

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