UCSF

ZINC69082739

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 Yes

Popular Name: (2R)-2-cyclopropyl-2-(cyclopropylamino)-3-[(2R)-2-methyl-1,4-oxazepan-4-yl]propanenitrile (2R)-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) 1.69 5.88 -39.71 2 4 1 49 264.393 5 ↓
Mid Mid (pH 6-8) 1.69 3.91 -7.84 1 4 0 48 263.385 5 ↓

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

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