UCSF

ZINC20065655

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 33 No

Popular Name: (5S)-5-(2,4-dichlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrr (5S)-5-(2,4-dichlorophenyl)-1-(2…

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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) 4.88 12.06 -62.46 1 6 0 74 491.415 9 ↓
Hi High (pH 8-9.5) 4.88 9.86 -52.29 0 6 -1 73 490.407 9 ↓
Lo Low (pH 4.5-6) 4.88 11.24 -46.67 2 6 1 71 492.423 9 ↓

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