UCSF

ZINC53342796

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 16 No

Popular Name: N-[2-(1,4-thiazepan-4-yl)ethyl]cyclohexanamine N-[2-(1,4-thiazepan-4-yl)ethyl]c…

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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) 2.69 6.18 -41.51 2 2 1 20 243.44 4 ↓
Mid Mid (pH 6-8) 2.69 8.2 -120.16 3 2 2 21 244.448 4 ↓

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

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