UCSF

ZINC69232149

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

Popular Name: (2S)-2-cyclopropyl-2-(cyclopropylamino)-3-(1,4-oxazepan-4-yl)propanoic (2S)-2-cyclopropyl-2-(cyclopropy…

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Download: MOL2 SDF SMILES Flexibase

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) -1.20 7.3 -67.37 3 5 1 70 269.365 6 ↓
Hi High (pH 8-9.5) -1.20 6.22 -35.63 2 5 0 66 268.357 6 ↓
Mid Mid (pH 6-8) -1.20 5.81 -32.36 2 5 0 69 268.357 6 ↓

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

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