UCSF

ZINC19999595

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Popular Name: (5S)-5-(3-allyloxyphenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5H-pyrrol-2-on (5S)-5-(3-allyloxyphenyl)-1-(2-d…

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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) 2.98 9.93 -71.48 1 6 0 74 412.511 9 ↓
Hi High (pH 8-9.5) 2.98 7.39 -57.81 0 6 -1 73 411.503 9 ↓
Lo Low (pH 4.5-6) 2.98 9.11 -50.29 2 6 1 71 413.519 9 ↓

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