UCSF

ZINC49513068

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 34 No

Popular Name: N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(azepan-1-yl)-2-(1-met…

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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) 1.68 10.15 -45.56 3 8 1 88 464.59 6 ↓
Hi High (pH 8-9.5) 1.68 8.52 -12.95 2 8 0 87 463.582 6 ↓
Hi High (pH 8-9.5) 1.86 8.67 -39.9 2 8 0 94 463.582 6 ↓

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

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