UCSF

ZINC49281567

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 No

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

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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) 1.60 7.4 -12.04 0 4 0 45 304.444 5 ↓
Mid Mid (pH 6-8) 1.60 9.72 -35.27 1 4 1 46 305.452 5 ↓

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

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