UCSF

ZINC09186814

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 36 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-dio 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) 2.91 8.03 -56.91 0 10 -1 128 492.508 10 ↓
Mid Mid (pH 6-8) 3.36 10.06 -52.47 2 10 1 126 494.524 9 ↓
Mid Mid (pH 6-8) 2.33 0.04 -58.28 1 10 1 123 494.524 10 ↓
Mid Mid (pH 6-8) 2.91 10.38 -72.2 1 10 0 129 493.516 10 ↓

Activity (Go SEA)

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