UCSF

ZINC69267116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 28 No

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

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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) 2.37 10.41 -59.53 2 6 1 70 421.612 6 ↓
Mid Mid (pH 6-8) 2.37 8.5 -20.74 1 6 0 69 420.604 6 ↓

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Rings

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

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