UCSF

ZINC41584612

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-(3-pyridylmethylene)-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3-one (2Z)-6-hydroxy-2-(3-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) 2.95 9.38 -43.57 2 6 1 81 414.485 4 ↓
Hi High (pH 8-9.5) 2.95 8.14 -45.05 0 6 -1 82 412.469 4 ↓
Mid Mid (pH 6-8) 2.95 7.37 -9.66 1 6 0 79 413.477 4 ↓
Mid Mid (pH 6-8) 2.95 10.15 -36.01 1 6 0 83 413.477 4 ↓

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

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