UCSF

ZINC01790891

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 34 Yes

Popular Name: 9-(3-chlorophenyl)-2-(4-fluorophenyl)-7,7-bis(trifluoromethyl)-2,4,8,10-tetrazabicyclo[4.4.0]deca-9, 9-(3-chlorophenyl)-2-(4-fluoroph…

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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) 3.98 9.93 -12.06 2 6 0 79 506.765 4 ↓
Hi High (pH 8-9.5) 4.43 7.33 -47.96 1 6 -1 82 505.757 4 ↓
Mid Mid (pH 6-8) 4.43 7.41 -44.24 2 6 0 84 506.765 4 ↓
Mid Mid (pH 6-8) 4.61 9.21 -32.68 1 6 -1 86 505.757 4 ↓

Activity (Go SEA)

Rings

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