UCSF

ZINC69232965

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-cyclopropyl-3-[methyl-[[(3R)-1-methylpyrrolidin-3-yl]methyl]amino]-2-(propylamino)propanoic (2R)-2-cyclopropyl-3-[methyl-[[(…

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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) -0.27 7.71 -56.43 3 5 1 64 298.451 9 ↓
Hi High (pH 8-9.5) -0.27 6.91 -55.66 2 5 0 60 297.443 9 ↓
Mid Mid (pH 6-8) -0.27 7.31 -70.67 3 5 1 64 298.451 9 ↓
Mid Mid (pH 6-8) -0.27 5.28 -31.99 2 5 0 63 297.443 9 ↓
Mid Mid (pH 6-8) -0.27 9.95 -126.68 4 5 2 66 299.459 9 ↓

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

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