UCSF

ZINC62982687

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-2-(cyclopropylamino)-2-methyl-3-[(3S)-3-(1-piperidyl)pyrrolidin-1-yl]propanoic (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) -0.75 9.66 -142.99 4 5 2 66 297.443 6 ↓
Hi High (pH 8-9.5) -0.75 4.95 -33.53 2 5 0 63 295.427 6 ↓
Mid Mid (pH 6-8) -0.75 7.11 -51.5 3 5 1 64 296.435 6 ↓

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

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