UCSF

ZINC62957633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 31 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-4-methyl-7-(1-piperidylmethyl)benzofuran-3-one (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) 5.07 12.8 -102.82 3 5 0 59 422.569 6 ↓
Hi High (pH 8-9.5) 5.07 13.27 -29.16 1 5 0 61 420.553 6 ↓
Mid Mid (pH 6-8) 5.07 12.69 -41.54 2 5 1 58 421.561 6 ↓
Mid Mid (pH 6-8) 5.07 13.38 -75.12 2 5 0 62 421.561 6 ↓

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

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