UCSF

ZINC05790057

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 Yes

Popular Name: 8-(3-ethoxy-4-hydroxy-phenyl)-2-(2-hydroxy-3,5-dimethyl-phenyl)-7-(2-hydroxyethyl)-3,4,7-triazabicyc 8-(3-ethoxy-4-hydroxy-phenyl)-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) 2.63 2.65 -18.26 4 8 0 119 423.469 6 ↓
Hi High (pH 8-9.5) 2.40 3.21 -50.55 2 8 -1 118 422.461 6 ↓
Hi High (pH 8-9.5) 2.40 2.93 -63.58 2 8 -1 118 422.461 6 ↓

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