UCSF

ZINC53446115

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: (1S)-1-[(2S)-tetrahydrofuran-2-yl]-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine (1S)-1-[(2S)-tetrahydrofuran-2-y…

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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) 1.49 5.42 -38.57 2 3 1 29 259.439 5 ↓
Hi High (pH 8-9.5) 1.49 4.18 -3.08 1 3 0 24 258.431 5 ↓
Lo Low (pH 4.5-6) 1.49 6.94 -117.92 3 3 2 30 260.447 5 ↓

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

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