UCSF

ZINC11821419

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 31 Yes

Popular Name: N-benzyl-5-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-[1,2,5]oxadiazolo[3,4-e]pyrazin-6-amine N-benzyl-5-[4-(2-pyridylmethyl)-…

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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) 2.48 -2.32 -47.6 2 9 1 97 417.497 6 ↓
Lo Low (pH 4.5-6) 2.48 -2.26 -119.98 3 9 2 99 418.505 6 ↓

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

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