UCSF

ZINC64539381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 34 No

Popular Name: N-[(1'R,5'S,6'R,8'S)-4-acetyl-6',8'-bis(4-fluorophenyl)spiro[1,3,4-thiadiazole-5,9'-7-azabicyclo[3.3 N-[(1'R,5'S,6'R,8'S)-4-acetyl-6'…

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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) 3.95 7.41 -16.31 2 6 0 74 484.572 3 ↓
Mid Mid (pH 6-8) 3.95 10.62 -32 3 6 0 78 485.58 3 ↓

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

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