UCSF

ZINC09007607

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 33 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(2-thienyl)pyrrolidine-2,3-dione 4-[(4-allyloxyphenyl)-hydroxy-me…

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Download: MOL2 SDF SMILES Flexibase

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) 3.13 7.42 -58.17 0 7 -1 82 467.567 10 ↓
Mid Mid (pH 6-8) 2.54 9.51 -47.22 1 7 1 77 469.583 10 ↓
Mid Mid (pH 6-8) 3.57 9.01 -45.17 2 7 1 81 469.583 9 ↓
Mid Mid (pH 6-8) 3.13 9.75 -77.14 1 7 0 83 468.575 10 ↓

Activity (Go SEA)

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