UCSF

ZINC13108541

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 17 Yes

Popular Name: 1-(ethylBLAHyl)propan-1-one 1-(ethylBLAHyl)propan-1-one

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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) 3.45 9.31 -8.51 0 2 0 22 231.339 3 ↓

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