UCSF

ZINC21535558

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 25 Yes

Popular Name: 2-methyl-1-(4-methylpiperazine-1-carbonyl)-8-methylsulfonyl-4-oxa-8-azaspiro[4.5]dec-1-en-3-one 2-methyl-1-(4-methylpiperazine-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) 0.15 2.43 -16.52 0 8 0 87 371.459 2 ↓
Mid Mid (pH 6-8) 0.15 4.8 -66.78 1 8 1 88 372.467 2 ↓

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