UCSF

ZINC36119075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[[[2-(4-methyl-1-piperidyl)-3,4-dioxo-cyclobuten-1-yl]amino]meth N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) -0.58 4.02 -49.01 3 8 1 111 446.597 5 ↓
Mid Mid (pH 6-8) -0.58 4.8 -35.8 2 8 0 114 445.589 5 ↓
Mid Mid (pH 6-8) -0.58 5.43 -32.63 2 8 0 114 445.589 5 ↓

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

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