UCSF

ZINC66449179

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 26 No

Popular Name: 5-(dimethylamino)-3-[[methyl-[3-(3-phenylisoxazol-5-yl)propyl]amino]methyl]-1,3,4-thiadiazole-2-thio 5-(dimethylamino)-3-[[methyl-[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) 3.10 9.91 -15.33 0 6 0 50 389.55 8 ↓
Mid Mid (pH 6-8) 3.10 12.41 -47.38 1 6 1 52 390.558 8 ↓

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

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