UCSF

ZINC69690175

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 No

Popular Name: 3-[[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-thione 3-[[(2R)-2-[(2-methoxyphenyl)met…

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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) 2.61 6.34 -13.47 0 4 0 30 321.471 5 ↓
Mid Mid (pH 6-8) 2.61 8.79 -38.01 1 4 1 31 322.479 5 ↓

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

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