UCSF

ZINC58305350

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 27 No

Popular Name: N-[4-[[[1-(4-chlorophenyl)-1-ethyl-propyl]amino]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]-N-cyclopropy N-[4-[[[1-(4-chlorophenyl)-1-eth…

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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) 4.20 11.1 -13.42 1 5 0 50 425.023 8 ↓
Mid Mid (pH 6-8) 4.20 12.66 -42.96 2 5 1 55 426.031 8 ↓

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

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