UCSF

ZINC69690233

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 26 No

Popular Name: 5-(2-methoxyethylamino)-3-[[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,3,4-thiadiazol 5-(2-methoxyethylamino)-3-[[(2S)…

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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) 2.57 8.91 -103.25 3 6 2 54 396.582 9 ↓
Mid Mid (pH 6-8) 2.57 6.53 -10.03 1 6 0 52 394.566 9 ↓
Mid Mid (pH 6-8) 2.57 8.78 -33.96 2 6 1 53 395.574 9 ↓

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

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