UCSF

ZINC09708628

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 20 Yes

Popular Name: allyl-trimethyl-BLAHdione allyl-trimethyl-BLAHdione

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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) 1.55 0.29 -10.59 0 7 0 74 274.28 2 ↓
Mid Mid (pH 6-8) 1.55 1.2 -32.87 1 7 1 75 275.288 2 ↓

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Rings

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