UCSF

ZINC14006920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 35 No

Popular Name: butanoic acid, 4-[[[[2-[(4-methyl-1-piperazinyl)carbonyl]phenyl]amino]thioxomethyl]amino]-4-oxo-, 3-phenylpropyl ester butanoic acid, 4-[[[[2-[(4-methy…

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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) 1.90 13.6 -63.02 3 8 1 92 497.641 12 ↓

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Rings

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

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