UCSF

ZINC48971968

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

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

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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) -0.48 1.07 -7.42 2 6 0 66 280.372 3 ↓
Mid Mid (pH 6-8) -0.48 3.29 -124.31 4 6 2 68 282.388 3 ↓
Lo Low (pH 4.5-6) -0.48 2.97 -38.5 3 6 1 67 281.38 3 ↓

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

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