UCSF

ZINC53619558

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 34 Yes

Popular Name: (7S)-5-ethyl-N-[(1S)-1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-3-methyl-butyl]-8-oxo-6,7-dihydro-[1,3]d (7S)-5-ethyl-N-[(1S)-1-[2-(1H-im…

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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) 2.90 7.15 -81.46 4 10 0 133 469.542 9 ↓
Mid Mid (pH 6-8) 2.90 6.66 -62.28 3 10 -1 132 468.534 9 ↓
Lo Low (pH 4.5-6) 2.90 7.01 -48.68 5 10 1 130 470.55 9 ↓

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

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