UCSF

ZINC42444860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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

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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) 2.48 7.64 -40.23 2 2 1 16 237.392 4 ↓
Hi High (pH 8-9.5) 2.48 5.63 -3.3 1 2 0 15 236.384 4 ↓

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

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