UCSF

ZINC55017096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 19 Yes

Popular Name: (3S)-3-phenyl-3-[2-(4-pyridyl)ethylamino]propanenitrile (3S)-3-phenyl-3-[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) 0.75 7 -8.48 1 3 0 49 251.333 6 ↓
Mid Mid (pH 6-8) 0.75 7.46 -33.28 2 3 1 50 252.341 6 ↓

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Rings

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

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