UCSF

ZINC25782017

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 31 No

Popular Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-piperidylmethyl)-N-[1-(p-tolyl)ethylideneamino]triazole-4-carb 3-(4-amino-1,2,5-oxadiazol-3-yl)…

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Download: MOL2 SDF SMILES Flexibase

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) 2.45 8.19 -44.85 4 11 1 142 424.489 6 ↓
Hi High (pH 8-9.5) 2.45 5.93 -17.56 3 11 0 140 423.481 6 ↓

Activity (Go SEA)

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