UCSF

ZINC69131604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 26 No

Popular Name: [3-(4-methylpiperazin-1-yl)-3-oxo-propyl]sulfanylmethylBLAHone [3-(4-methylpiperazin-1-yl)-3-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) 1.51 6.75 -15.74 1 6 0 69 392.55 5 ↓
Mid Mid (pH 6-8) 1.51 9.09 -52.83 2 6 1 70 393.558 5 ↓

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Rings

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

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