UCSF

ZINC62982579

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 20 Yes

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(3S)-3-morpholinopyrrolidin-1-yl]propanenitrile (2S)-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) 0.71 0.95 -5.25 1 5 0 52 278.4 5 ↓
Mid Mid (pH 6-8) 0.71 3.16 -39.72 2 5 1 53 279.408 5 ↓
Mid Mid (pH 6-8) 0.71 2.84 -42.46 2 5 1 53 279.408 5 ↓
Lo Low (pH 4.5-6) 0.71 4.33 -90.35 3 5 2 57 280.416 5 ↓

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Rings

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

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