UCSF

ZINC12855290

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 25 No

Popular Name: 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)aceta 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,…

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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) 2.74 7.72 -20.69 1 7 0 92 364.471 7 ↓
Mid Mid (pH 6-8) 2.56 6.41 -53.31 0 7 -1 99 363.463 7 ↓

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

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