UCSF

ZINC68960327

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 25 No

Popular Name: 2-[[3-(4-chlorophenyl)-5-thioxo-4H-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-(3-methoxypropyl)acetam 2-[[3-(4-chlorophenyl)-5-thioxo-…

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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 8.13 -46.54 3 7 1 76 384.913 9 ↓
Hi High (pH 8-9.5) 2.85 7.39 -39.19 2 7 0 73 383.905 9 ↓
Hi High (pH 8-9.5) 2.85 5.12 -47.39 1 7 -1 72 382.897 9 ↓
Mid Mid (pH 6-8) 2.12 5.85 -17.06 2 7 0 75 383.905 9 ↓

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

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