UCSF

ZINC66449425

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 No

Popular Name: 3-[[cyclohexyl(cyclopropylmethyl)amino]methyl]-5-(dimethylamino)-1,3,4-thiadiazole-2-thione 3-[[cyclohexyl(cyclopropylmethyl…

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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) 3.41 11.26 -96.42 2 4 2 27 328.551 6 ↓
Mid Mid (pH 6-8) 3.41 8.86 -7.74 0 4 0 24 326.535 6 ↓
Mid Mid (pH 6-8) 3.41 11.19 -30.66 1 4 1 26 327.543 6 ↓

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

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