UCSF

ZINC69974067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 Yes

Popular Name: (2R)-2-[[4-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pentanedinitrile (2R)-2-[[4-[(5-isopropyl-1,2,4-o…

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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) 0.92 5.02 -17.64 0 7 0 93 330.436 7 ↓
Mid Mid (pH 6-8) 0.92 7.03 -46.8 1 7 1 94 331.444 7 ↓

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

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