UCSF

ZINC05200935

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 30 Yes

Popular Name: 8-(2-hydroxy-3,5-dimethyl-phenyl)-2-(3-hydroxyphenyl)-3-(3-methoxypropyl)-3,6,7-triazabicyclo[3.3.0] 8-(2-hydroxy-3,5-dimethyl-phenyl…

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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) 3.30 5.17 -15.78 3 7 0 99 407.47 6 ↓
Ref Reference (pH 7) 3.30 5.13 -13.33 3 7 0 99 407.47 6 ↓
Hi High (pH 8-9.5) 3.30 5.94 -48.57 2 7 -1 102 406.462 6 ↓
Hi High (pH 8-9.5) 3.07 4.97 -59.35 1 7 -1 98 406.462 6 ↓
Hi High (pH 8-9.5) 3.07 4.94 -54.47 1 7 -1 98 406.462 6 ↓

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