In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 20 | Yes |
Popular Name: (2S)-6-[2-dimethylaminoethyl(propyl)amino]-2-methyl-2-(methylamino)hexanamide (2S)-6-[2-dimethylaminoethyl(pro…
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) | 1.25 | 3.09 | -95.87 | 5 | 5 | 2 | 67 | 288.48 | 12 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 2.08 | -40.06 | 4 | 5 | 1 | 63 | 287.472 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 3.59 | -93.62 | 5 | 5 | 2 | 67 | 288.48 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 5.75 | -185.65 | 6 | 5 | 3 | 69 | 289.488 | 12 | ↓ |