UCSF

ZINC69738156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: N-[3-oxo-3-(4-pyridylmethylamino)propyl]azocane-1-carboxamide N-[3-oxo-3-(4-pyridylmethylamino…

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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) 1.95 5.55 -18.7 2 6 0 74 318.421 5 ↓
Lo Low (pH 4.5-6) 1.95 6.01 -52.31 3 6 1 76 319.429 5 ↓

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

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