UCSF

ZINC20171979

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-3-hydroxy-5-(4-isopropylphenyl)-4-(4-methoxybenzoyl)-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) 4.73 12.1 -68.85 1 6 0 74 450.579 10 ↓
Hi High (pH 8-9.5) 4.73 9.9 -59.75 0 6 -1 73 449.571 10 ↓
Lo Low (pH 4.5-6) 4.73 11.28 -47.71 2 6 1 71 451.587 10 ↓

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