UCSF

ZINC38582740

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Popular Name: 3-cyclohexyl-1-hydroxy-1-[(4S)-3-[(E)-2H-indol-3-ylmethyleneamino]-5,5-dimethyl-2-thioxo-thiazolidin 3-cyclohexyl-1-hydroxy-1-[(4S)-3…

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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) 4.57 8.76 -37.25 3 7 1 82 446.622 4 ↓
Hi High (pH 8-9.5) 4.57 9.38 -47.48 2 7 0 85 445.614 4 ↓

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

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