UCSF

ZINC55153240

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 4-oxo-5-phenoxy-1-[(2S)-2-(3-pyridyloxy)propyl]pyridine-3-carboxylic 4-oxo-5-phenoxy-1-[(2S)-2-(3-pyr…

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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) 2.63 10.83 -81.96 0 7 -1 93 365.365 7 ↓
Mid Mid (pH 6-8) -0.65 8.87 -47.34 1 7 0 96 366.373 7 ↓
Lo Low (pH 4.5-6) -0.65 9.33 -73.01 2 7 1 97 367.381 7 ↓

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

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