UCSF

ZINC20488501

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 Yes

Popular Name: 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxa 1-[3-(4-methoxyphenyl)-1,2,4-oxa…

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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) 1.89 4.28 -48.87 2 9 1 88 429.545 7 ↓
Mid Mid (pH 6-8) 1.89 4.15 -52.23 2 9 1 88 429.545 7 ↓
Mid Mid (pH 6-8) 1.89 1.81 -15.54 1 9 0 87 428.537 7 ↓

Activity (Go SEA)

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