UCSF

ZINC49281406

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Substance Information

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

Popular Name: 3-[[ethyl-[(3-nitrophenyl)methyl]amino]methyl]-1,3,4-thiadiazole-2-thione 3-[[ethyl-[(3-nitrophenyl)methyl…

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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) 2.11 7.33 -15.28 0 6 0 67 310.404 6 ↓
Mid Mid (pH 6-8) 2.11 9.45 -49.29 1 6 1 68 311.412 6 ↓

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

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