UCSF

ZINC69794872

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 Yes

Popular Name: N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(3-pyridyl)ethanamine N-[(4-methyl-1,2,5-oxadiazol-3-y…

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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) 0.98 2.43 -11.95 1 5 0 64 218.26 5 ↓
Mid Mid (pH 6-8) 0.98 3.79 -60.93 2 5 1 68 219.268 5 ↓
Lo Low (pH 4.5-6) 0.98 4.26 -117.54 3 5 2 70 220.276 5 ↓

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

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