In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 14 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-N-isobutyl-N'-methyl-ethane-1,2-diamine N-(2-dimethylaminoethyl)-N-isobu…
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) | 1.28 | 4.26 | -109.02 | 3 | 3 | 2 | 24 | 203.374 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 3.67 | -34.2 | 2 | 3 | 1 | 20 | 202.366 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 2.48 | -37.76 | 2 | 3 | 1 | 23 | 202.366 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.28 | 5.12 | -87.09 | 3 | 3 | 2 | 24 | 203.374 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.28 | 6.52 | -198.88 | 4 | 3 | 3 | 25 | 204.382 | 8 | ↓ |