UCSF

ZINC41584649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-7-[[(2S)-2-(3-pyridyl)-1-piperidyl]me (2Z)-2-[(6-chloro-4H-1,3-benzodi…

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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) 4.58 10.85 -41.61 2 7 1 86 505.978 4 ↓
Hi High (pH 8-9.5) 4.58 9.63 -47.25 0 7 -1 88 503.962 4 ↓
Mid Mid (pH 6-8) 4.58 8.98 -9.96 1 7 0 85 504.97 4 ↓
Mid Mid (pH 6-8) 4.58 11.52 -33.29 1 7 0 89 504.97 4 ↓

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

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