UCSF

ZINC04169965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 No

Popular Name: (3,4-dimethylphenyl)-thioxo-BLAHone (3,4-dimethylphenyl)-thioxo-BLAHone

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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) 4.23 8.95 -51.77 0 4 -1 54 321.381 1 ↓
Lo Low (pH 4.5-6) 3.78 10.34 -14.01 1 4 0 51 322.389 1 ↓

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

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