UCSF

ZINC62977270

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 37 No

Popular Name: (7Z)-3-(1,3-benzodioxol-5-ylmethyl)-7-[[4-(diethylamino)phenyl]methylene]-9-methyl-2,4-dihydrofuro[3 (7Z)-3-(1,3-benzodioxol-5-ylmeth…

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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) 5.37 11.33 -51.54 1 7 0 66 499.587 6 ↓
Mid Mid (pH 6-8) 5.37 11.23 -13.37 0 7 0 64 498.579 6 ↓
Lo Low (pH 4.5-6) 5.37 14.2 -116.89 2 7 0 67 500.595 6 ↓

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

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