UCSF

ZINC20392700

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-isobutoxybenzoyl)-5H-pyrr (5S)-1-(2-dimethylaminoethyl)-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) 3.61 11.73 -78.44 1 8 0 93 496.604 12 ↓
Hi High (pH 8-9.5) 3.61 9.21 -58.7 0 8 -1 91 495.596 12 ↓
Lo Low (pH 4.5-6) 3.61 10.92 -59.95 2 8 1 90 497.612 12 ↓

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