UCSF

ZINC25781883

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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)-N-[[(2S)-2-phenylpropylidene]amino]-5-(1-piperidylmethyl)triazole-4 3-(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) 2.57 8 -46.36 4 11 1 142 424.489 7 ↓
Hi High (pH 8-9.5) 2.57 5.74 -14.03 3 11 0 140 423.481 7 ↓

Activity (Go SEA)

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