UCSF

ZINC49512980

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 35 No

Popular Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(4-methylpiperazin-1-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) 0.67 7.29 -45.91 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 4.93 -12.67 2 9 0 90 478.597 6 ↓
Mid Mid (pH 6-8) 0.67 7.04 -44.36 3 9 1 91 479.605 6 ↓

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

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