UCSF

ZINC69267285

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 29 No

Popular Name: [3-(4-isobutylpiperazin-1-yl)-3-oxo-propyl]sulfanylmethylBLAHone [3-(4-isobutylpiperazin-1-yl)-3-…

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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) 2.64 11.18 -51.82 2 6 1 70 435.639 7 ↓
Mid Mid (pH 6-8) 2.64 9.27 -15.19 1 6 0 69 434.631 7 ↓

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Rings

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

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