UCSF

ZINC62968193

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Substance Information

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

Popular Name: (1R)-1-(1-adamantyl)-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethanol (1R)-1-(1-adamantyl)-2-[(3R)-3-(…

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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) 2.78 5.82 -36.86 2 3 1 28 293.475 4 ↓
Mid Mid (pH 6-8) 2.78 8.22 -111.19 3 3 2 29 294.483 4 ↓
Mid Mid (pH 6-8) 2.78 5.72 -34.11 2 3 1 28 293.475 4 ↓

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

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