UCSF

ZINC39849053

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 No

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

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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) 2.36 10.92 -53.27 1 6 0 78 405.498 9 ↓
Lo Low (pH 4.5-6) 2.36 12.26 -107.7 2 6 1 79 406.506 9 ↓
Lo Low (pH 4.5-6) 2.36 10.14 -38.89 2 6 1 75 406.506 9 ↓
Lo Low (pH 4.5-6) 2.36 11.38 -112.83 3 6 2 76 407.514 9 ↓

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