UCSF

ZINC53379393

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: N'-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N-[(3R)-tetrahydrothiophen-3-yl]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) 0.29 0.17 -13.07 1 4 0 49 278.443 5 ↓
Mid Mid (pH 6-8) 0.29 2.42 -55.66 2 4 1 51 279.451 5 ↓
Lo Low (pH 4.5-6) 0.29 1.31 -64.12 2 4 1 54 279.451 5 ↓
Lo Low (pH 4.5-6) 0.29 3.57 -152.27 3 4 2 55 280.459 5 ↓

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Rings

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

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