UCSF

ZINC25782419

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 34 No

Popular Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-butoxyphenyl)methyleneamino]-5-(morpholinomethyl)triazole-4-c 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) 2.52 3.77 -17.97 3 13 0 159 469.506 10 ↓
Mid Mid (pH 6-8) 2.52 6.18 -48.04 4 13 1 160 470.514 10 ↓

Activity (Go SEA)

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