UCSF

ZINC52424254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 Yes

Popular Name: N-[[1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(4-methyl-1,4-diazepan-…

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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) 0.22 6.32 -181.78 4 6 3 56 269.417 6 ↓
Hi High (pH 8-9.5) 0.22 4.5 -86.2 3 6 2 55 268.409 6 ↓
Hi High (pH 8-9.5) 0.22 3.9 -92.91 3 6 2 55 268.409 6 ↓
Hi High (pH 8-9.5) 0.22 1.97 -41.18 2 6 1 54 267.401 6 ↓

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

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