UCSF

ZINC09409198

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 Yes

Popular Name: 2-(2-hydroxyphenyl)-7-(3-hydroxypropyl)-8-(4-isopentyloxy-3-methoxy-phenyl)-3,4,7-triazabicyclo[3.3. 2-(2-hydroxyphenyl)-7-(3-hydroxy…

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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) 3.68 6.13 -17.66 3 8 0 108 465.55 10 ↓
Mid Mid (pH 6-8) 3.68 6.91 -57.32 2 8 -1 111 464.542 10 ↓

Activity (Go SEA)

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