UCSF

ZINC08905380

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(2-morpholinoethyl)-5-(2-nitrophenyl)-pyrrolidine-2,3-dion 4-[hydroxy-(4-methoxyphenyl)-met…

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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) 2.22 6.6 -56.54 0 10 -1 128 466.47 8 ↓
Mid Mid (pH 6-8) 1.64 10.34 -50.82 1 10 1 123 468.486 8 ↓
Mid Mid (pH 6-8) 2.22 9.98 -49.56 2 10 1 126 468.486 8 ↓
Mid Mid (pH 6-8) 2.22 9 -69.82 1 10 0 129 467.478 8 ↓

Activity (Go SEA)

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