UCSF

ZINC05408622

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 31 No

Popular Name: 4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(3-pyridyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione 4-[(3-ethoxyphenyl)-hydroxy-meth…

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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) 1.66 7.46 -64.89 0 7 -1 95 414.441 7 ↓
Mid Mid (pH 6-8) 2.10 -1.22 -25.81 1 7 0 92 415.449 6 ↓
Lo Low (pH 4.5-6) 2.10 -0.71 -38.42 2 7 1 93 416.457 6 ↓
Lo Low (pH 4.5-6) 2.10 -0.72 -46.63 2 7 1 93 416.457 6 ↓
Lo Low (pH 4.5-6) 2.10 -0.6 -106.7 3 7 2 95 417.465 6 ↓

Activity (Go SEA)

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