UCSF

ZINC04812846

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 27 No

Popular Name: 4-amino-2-(3,5-dichloro-2-hydroxy-phenyl)-9-phenyl-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-triene-3 4-amino-2-(3,5-dichloro-2-hydrox…

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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) 3.89 3.66 -8.99 4 6 0 108 399.237 2 ↓
Hi High (pH 8-9.5) 3.89 4.21 -40.31 3 6 -1 111 398.229 2 ↓
Mid Mid (pH 6-8) 3.89 3.46 -42.8 3 6 -1 111 398.229 2 ↓
Lo Low (pH 4.5-6) 3.89 3.79 -56.16 5 6 1 110 400.245 2 ↓

Activity (Go SEA)

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