UCSF

ZINC36154532

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Popular Name: allyl allyl

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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) 1.87 6.62 -57.05 3 6 1 89 320.394 7 ↓
Hi High (pH 8-9.5) 1.87 4.74 -20.81 2 6 0 84 319.386 7 ↓
Mid Mid (pH 6-8) 2.32 4.21 -43.49 2 6 0 92 319.386 7 ↓

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Rings

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