UCSF

ZINC09781060

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2007 31 Yes

Popular Name: [9-chloro-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-dien-8-yl]-(2-m [9-chloro-3-(4-methoxyphenyl)-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) 4.57 9.26 -13.35 1 6 0 59 456.896 4 ↓
Mid Mid (pH 6-8) 4.75 8.93 -33.34 2 6 1 64 457.904 4 ↓

Activity (Go SEA)

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