UCSF

ZINC62982860

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Substance Information

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

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

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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) -1.74 4.32 -67.08 3 6 1 74 284.38 6 ↓
Hi High (pH 8-9.5) -1.74 4.61 -41.98 2 6 0 69 283.372 6 ↓
Mid Mid (pH 6-8) -1.74 2.38 -37.73 2 6 0 72 283.372 6 ↓

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

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