In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 16 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-N'-[(1R)-1-methylpropyl]-N-propyl-ethane-1,2-diamine N-(2-dimethylaminoethyl)-N'-[(1R…
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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) | 2.25 | 6.11 | -88.85 | 3 | 3 | 2 | 24 | 231.428 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 4.92 | -32.44 | 2 | 3 | 1 | 20 | 230.42 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.25 | 3.64 | -34.87 | 2 | 3 | 1 | 23 | 230.42 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 8.24 | -205.5 | 4 | 3 | 3 | 25 | 232.436 | 10 | ↓ |