UCSF

ZINC69967487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 26 Yes

Popular Name: [(1S)-1-(4-pyridyl)ethyl] [(1S)-1-(4-pyridyl)ethyl]

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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) 2.01 9.81 -24.15 0 7 0 87 349.346 5 ↓
Lo Low (pH 4.5-6) 2.01 10.27 -53.72 1 7 1 88 350.354 5 ↓

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

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