UCSF

ZINC22924995

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 Yes

Popular Name: N-tert-butyl-2-[4-[(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-diazepan-1-yl]acetamide N-tert-butyl-2-[4-[(1S)-1-methyl…

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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) 2.57 7.72 -44.54 2 7 1 60 430.617 6 ↓
Hi High (pH 8-9.5) 2.57 7.59 -41.7 2 7 1 60 430.617 6 ↓
Lo Low (pH 4.5-6) 2.57 10.44 -119 3 7 2 62 431.625 6 ↓

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