UCSF

ZINC60024303

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 43 No

Popular Name: (1S,2E,4E,5R)-2,4-dibenzylidene-1,5-bis(4-chlorophenyl)-9-thioxo-8,10-diazaspiro[5.5]undecane-3,7,11 (1S,2E,4E,5R)-2,4-dibenzylidene-…

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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) 8.39 12.72 -35.15 1 5 -1 82 622.553 4 ↓
Lo Low (pH 4.5-6) 8.48 14.46 -9.57 2 5 0 75 623.561 4 ↓

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

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