UCSF

ZINC60476872

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 24 Yes

Popular Name: butyl butyl

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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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) 4.25 10.14 -16.3 1 5 0 72 342.42 7 ↓
Hi High (pH 8-9.5) 4.70 7.17 -53.08 0 5 -1 75 341.412 7 ↓

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Rings

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

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