UCSF

ZINC62982826

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-(cyclopropylamino)-2-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propanoic (2R)-2-(cyclopropylamino)-2-meth…

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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) -1.81 5.14 -72.43 3 6 1 74 298.407 6 ↓
Hi High (pH 8-9.5) -1.81 4.68 -37.77 2 6 0 69 297.399 6 ↓
Mid Mid (pH 6-8) -1.81 2.86 -36.74 2 6 0 72 297.399 6 ↓

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

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