UCSF

ZINC41584606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Popular Name: (2Z)-2-[(4-fluorophenyl)methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]methyl]benzofuran-3- (2Z)-2-[(4-fluorophenyl)methylen…

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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) 4.35 11.29 -42.85 2 5 1 68 431.487 4 ↓
Hi High (pH 8-9.5) 4.35 10.08 -44.9 0 5 -1 69 429.471 4 ↓
Mid Mid (pH 6-8) 4.35 9.42 -8.56 1 5 0 67 430.479 4 ↓
Mid Mid (pH 6-8) 4.35 11.97 -33.81 1 5 0 71 430.479 4 ↓

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

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