UCSF

ZINC69982514

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 No

Popular Name: 1-(3,4-dichlorophenyl)-3-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]urea 1-(3,4-dichlorophenyl)-3-[(4-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) 2.12 6.72 -16.59 3 6 0 75 346.243 4 ↓
Mid Mid (pH 6-8) 2.85 6.48 -44.83 2 6 -1 72 345.235 4 ↓

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

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