UCSF

ZINC69143535

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 21 No

Popular Name: (3S)-3-[[(3R)-1,1-dioxothian-3-yl]amino]-1-(1-ethylpropyl)pyrrolidine-2,5-dione (3S)-3-[[(3R)-1,1-dioxothian-3-y…

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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) 0.42 2.62 -16.08 1 6 0 84 316.423 5 ↓
Mid Mid (pH 6-8) 0.42 3.58 -65.57 2 6 1 88 317.431 5 ↓

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

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