UCSF

ZINC13218334

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 19 No

Popular Name: 4-[3-(3-Pyrid-4-yl-propylsulfanyl)-propyl]-pyridine 4-[3-(3-Pyrid-4-yl-propylsulfany…

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CAS Number: 69603-59-4

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) 2.90 9.89 -8.88 0 2 0 26 272.417 8 ↓
Lo Low (pH 4.5-6) 2.90 10.17 -36.52 1 2 1 27 273.425 8 ↓
Lo Low (pH 4.5-6) 2.90 10.45 -71.54 2 2 2 28 274.433 8 ↓

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

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