UCSF

ZINC62533399

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(1,4-oxazepan-4-yl)butanoic (2S)-2-(cyclopropylamino)-4-(1,4…

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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) -1.34 3.83 -36.87 2 5 0 69 242.319 6 ↓
Mid Mid (pH 6-8) -1.34 4.91 -49.59 2 5 0 66 242.319 6 ↓
Mid Mid (pH 6-8) -1.34 5.88 -81.6 3 5 1 70 243.327 6 ↓

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

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