UCSF

ZINC62957662

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 32 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-benzofuran-3- (2Z)-2-[[4-(diethylamino)phenyl]…

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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) 4.05 10.1 -114.83 3 6 0 63 437.584 7 ↓
Hi High (pH 8-9.5) 4.05 8.48 -44.84 0 6 -1 63 434.56 7 ↓
Hi High (pH 8-9.5) 4.05 7.72 -8.53 1 6 0 60 435.568 7 ↓
Hi High (pH 8-9.5) 4.05 10.72 -52.28 1 6 0 64 435.568 7 ↓
Mid Mid (pH 6-8) 4.05 9.96 -41.35 2 6 1 61 436.576 7 ↓

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

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