UCSF

ZINC62982521

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-(1-piperidyl)pyrrolidin-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) 1.77 5.59 -36.73 2 4 1 43 277.436 5 ↓
Hi High (pH 8-9.5) 1.77 3.42 -3.77 1 4 0 42 276.428 5 ↓
Lo Low (pH 4.5-6) 1.77 6.76 -87.21 3 4 2 48 278.444 5 ↓

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

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