UCSF

ZINC62957648

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 29 No

Popular Name: (2Z)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)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) 4.19 11.16 -103.45 3 5 0 59 394.515 6 ↓
Hi High (pH 8-9.5) 4.19 11.81 -29.69 1 5 0 61 392.499 6 ↓
Mid Mid (pH 6-8) 4.19 11.74 -78.9 2 5 0 62 393.507 6 ↓
Mid Mid (pH 6-8) 4.19 11.05 -41.69 2 5 1 58 393.507 6 ↓

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

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