UCSF

ZINC53391679

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine N'-[(3S)-1,1-dioxothiolan-3-yl]-…

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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) 0.53 -0.28 -11.89 1 5 0 59 290.429 6 ↓
Mid Mid (pH 6-8) 0.53 2.03 -48.97 2 5 1 60 291.437 6 ↓
Mid Mid (pH 6-8) 0.53 0.85 -59.69 2 5 1 63 291.437 6 ↓
Lo Low (pH 4.5-6) 0.53 3.17 -142.54 3 5 2 64 292.445 6 ↓

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Rings

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

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