UCSF

ZINC20263809

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 31 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(furan-2-carbonyl)-3-hydroxy-5-(4-propoxyphenyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-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) 3.35 9.9 -68.92 1 7 0 87 426.513 11 ↓
Hi High (pH 8-9.5) 3.35 7.58 -58.56 0 7 -1 86 425.505 11 ↓
Lo Low (pH 4.5-6) 3.35 9.08 -47.03 2 7 1 84 427.521 11 ↓

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