UCSF

ZINC65508295

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 20 No

Popular Name: (1R,6S)-9-(2,1,3-benzothiadiazol-7-ylmethyl)-4,9-diazabicyclo[4.2.1]nonan-3-one (1R,6S)-9-(2,1,3-benzothiadiazol…

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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) 2.63 2.31 -10.52 1 5 0 58 288.376 2 ↓
Mid Mid (pH 6-8) 2.63 4.37 -45.03 2 5 1 59 289.384 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.