UCSF

ZINC63002610

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 18 Yes

Popular Name: (2R)-2-phenyl-2-[2-(4-pyridyl)ethylamino]ethanol (2R)-2-phenyl-2-[2-(4-pyridyl)et…

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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) 1.56 3.6 -6.05 2 3 0 45 242.322 6 ↓
Mid Mid (pH 6-8) 1.56 4.05 -34.64 3 3 1 46 243.33 6 ↓

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

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