UCSF

ZINC13127382

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 No

Popular Name: (4E,5R)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-pyridyl)methylene]-5-(3-pyridyl)pyrrolidine-2,3-dion (4E,5R)-1-(3-dimethylaminopropyl…

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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) 0.15 7.05 -77.89 1 7 0 91 366.421 7 ↓
Mid Mid (pH 6-8) -0.43 7.39 -49.65 1 7 1 85 367.429 7 ↓
Lo Low (pH 4.5-6) -0.43 7.96 -157.26 3 7 3 87 369.445 7 ↓
Lo Low (pH 4.5-6) -0.43 7.68 -102.52 2 7 2 86 368.437 7 ↓
Lo Low (pH 4.5-6) -0.43 7.67 -90.85 2 7 2 86 368.437 7 ↓

Activity (Go SEA)

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