UCSF

ZINC20119889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one (5S)-1-(2-diethylaminoethyl)-5-(…

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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) 4.04 11.74 -68.67 1 6 0 74 436.552 10 ↓
Hi High (pH 8-9.5) 4.04 9.54 -59.74 0 6 -1 73 435.544 10 ↓
Lo Low (pH 4.5-6) 4.04 10.91 -47.42 2 6 1 71 437.56 10 ↓

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

No pre-computed analogs available. Try a structural similarity search.