UCSF

ZINC20135214

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 27 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-pyridyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-3-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) 1.77 8 -68.67 1 6 0 78 385.489 8 ↓
Hi High (pH 8-9.5) 1.77 5.67 -56.8 0 6 -1 77 384.481 8 ↓
Lo Low (pH 4.5-6) 1.77 7.17 -48.51 2 6 1 75 386.497 8 ↓

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