UCSF

ZINC00541536

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 Yes

Popular Name: allyl-(2-dimethylaminoethylamino)-methyl-BLAHcarbonitrile allyl-(2-dimethylaminoethylamino…

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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) 3.65 11.71 -61.78 2 5 1 58 334.447 6 ↓
Hi High (pH 8-9.5) 3.65 9.29 -13.9 1 5 0 56 333.439 6 ↓
Lo Low (pH 4.5-6) 3.65 12.16 -92.05 3 5 2 59 335.455 6 ↓

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