UCSF

ZINC09409115

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 36 Yes

Popular Name: 8-(4-butoxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-7-(3-isopropoxypropyl)-3,4,7-triazabicyclo[3.3.0]o 8-(4-butoxy-3-methoxy-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) 4.82 9.45 -17.69 2 8 0 97 493.604 12 ↓
Mid Mid (pH 6-8) 4.82 10.21 -57.95 1 8 -1 100 492.596 12 ↓

Activity (Go SEA)

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