UCSF

ZINC43402306

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: N-[[3-(1-amino-1-methyl-ethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethyl-N-methyl-piperidin-4-amine N-[[3-(1-amino-1-methyl-ethyl)-1…

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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) 0.83 1.51 -98.51 4 6 2 74 283.42 5 ↓
Hi High (pH 8-9.5) 0.82 1.06 -40.81 3 6 1 73 282.412 5 ↓
Hi High (pH 8-9.5) 0.83 1.27 -40.36 3 6 1 73 282.412 5 ↓
Mid Mid (pH 6-8) 0.82 1.3 -86.82 4 6 2 74 283.42 5 ↓
Lo Low (pH 4.5-6) 0.83 3.76 -178.24 5 6 3 75 284.428 5 ↓

Activity (Go SEA)

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