UCSF

ZINC70039851

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 24 Yes

Popular Name: (2S)-N-allyl-2-[4-[[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-methyl-amino]butyl-methyl-amino]propan (2S)-N-allyl-2-[4-[[(1S)-2-(ally…

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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) 1.07 6.64 -97.99 4 6 2 67 340.512 13 ↓
Hi High (pH 8-9.5) 1.07 2.05 -15.37 2 6 0 65 338.496 13 ↓
Hi High (pH 8-9.5) 1.07 4.35 -38.87 3 6 1 66 339.504 13 ↓

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