UCSF

ZINC62581140

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 32 No

Popular Name: N-[1-[[5-(2-chloro-4,6-dimethyl-anilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-4-piperidyl]-5-methy N-[1-[[5-(2-chloro-4,6-dimethyl-…

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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) 4.11 11.51 -42.6 3 8 1 89 494.066 6 ↓
Mid Mid (pH 6-8) 4.11 9.13 -12.5 2 8 0 88 493.058 6 ↓

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

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