UCSF

ZINC39849032

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(4-pyridyl)-2H-pyrrol-5-one (2S)-1-(2-dimethylaminoethyl)-4-…

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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) 1.49 9.62 -72.63 1 6 0 78 377.444 7 ↓
Lo Low (pH 4.5-6) 1.49 8.72 -50.63 2 6 1 75 378.452 7 ↓

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