UCSF

ZINC69708197

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 No

Popular Name: 3-[[[1-(2-methoxyphenyl)-1-methyl-ethyl]amino]methyl]-5-methyl-1,3,4-thiadiazole-2-thione 3-[[[1-(2-methoxyphenyl)-1-methy…

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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) 2.29 7.63 -108.94 3 4 2 45 311.476 5 ↓
Mid Mid (pH 6-8) 2.29 6.93 -9.42 1 4 0 39 309.46 5 ↓
Mid Mid (pH 6-8) 2.29 7.53 -35.43 2 4 1 44 310.468 5 ↓

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

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