UCSF

ZINC65535229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 Yes

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N'-(2-phenylpropylidene)-1H-1,2,3-triazole-4-carbohydrazide 1-(4-amino-1,2,5-oxadiazol-3-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) 0.21 3.11 -60.18 3 8 1 102 314.42 7 ↓
Mid Mid (pH 6-8) 0.21 1.87 -20.71 2 8 0 98 313.412 7 ↓

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Rings

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

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