UCSF

ZINC25783310

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 33 No

Popular Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholinomethyl)-N-(1-naphthylmethyleneamino)triazole-4-carboxa 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) 2.19 4.59 -18.83 3 12 0 150 447.459 6 ↓
Mid Mid (pH 6-8) 2.19 6.92 -53.28 4 12 1 151 448.467 6 ↓

Activity (Go SEA)

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