UCSF

ZINC69131575

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 25 No

Popular Name: [2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanylmethylBLAHone [2-(4-methylpiperazin-1-yl)-2-ox…

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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) 1.25 8.34 -60.04 2 6 1 70 379.531 4 ↓
Mid Mid (pH 6-8) 1.25 5.99 -21.16 1 6 0 69 378.523 4 ↓

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Rings

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