UCSF

ZINC41584636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Popular Name: (2Z)-6-hydroxy-2-(4-pyridylmethylene)-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(4-pyridylmethy…

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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 9.41 -44.28 2 6 1 81 414.485 4 ↓
Hi High (pH 8-9.5) 2.90 8.24 -44.78 0 6 -1 82 412.469 4 ↓
Mid Mid (pH 6-8) 2.90 10.1 -34.71 1 6 0 83 413.477 4 ↓
Mid Mid (pH 6-8) 2.90 7.57 -9.28 1 6 0 79 413.477 4 ↓
Lo Low (pH 4.5-6) 2.90 9.89 -106.64 3 6 2 82 415.493 4 ↓

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

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