UCSF

ZINC01071498

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 Yes

Popular Name: 1,4-diazabicyclo[4.3.0]non-4-yl-[2-(difluoromethyl)-4-phenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8- 1,4-diazabicyclo[4.3.0]non-4-yl-…

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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) 2.42 10.64 -47.21 1 6 1 55 398.437 3 ↓
Mid Mid (pH 6-8) 2.42 8.51 -15.93 0 6 0 54 397.429 3 ↓

Activity (Go SEA)

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