UCSF

ZINC48947748

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Substance Information

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

Popular Name: (7R,8S)-N7-methyl-N7-[[(2S)-tetrahydropyran-2-yl]methyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-methyl-N7-[[(2S)-tetr…

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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) 0.62 2.1 -36.95 3 5 1 59 285.408 3 ↓
Hi High (pH 8-9.5) 0.62 3.93 -32.59 3 5 1 58 285.408 3 ↓
Mid Mid (pH 6-8) 0.62 1.86 -3.61 2 5 0 57 284.4 3 ↓

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

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