UCSF

ZINC62580001

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 31 No

Popular Name: 4-[[2-dimethylaminoethyl-[[5-(2-methoxyanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]amino]methyl]b 4-[[2-dimethylaminoethyl-[[5-(2-…

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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) 3.71 11.57 -52.35 2 7 1 71 455.633 10 ↓
Hi High (pH 8-9.5) 3.71 8.47 -10.55 1 7 0 69 454.625 10 ↓

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

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