UCSF

ZINC19859373

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 No

Popular Name: 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol 5-Cycloheptyl-1,4,5,6-tetrahydro…

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CAS Numbers: , 669752-35-6

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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) 2.61 3.47 -9.29 2 3 0 29 213.35 1 ↓
Ref Reference (pH 7) 2.56 3.68 -11.38 2 3 0 27 213.35 1 ↓
Mid Mid (pH 6-8) 2.61 4.99 -38.5 2 3 0 29 213.35 1 ↓
Lo Low (pH 4.5-6) 2.61 5.82 -52 3 3 1 30 214.358 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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