In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2010 | 13 | Yes |
Popular Name: (2S)-N1-(2,2-dimethylpropyl)-N2-ethyl-N1-methyl-propane-1,2-diamine (2S)-N1-(2,2-dimethylpropyl)-N2-…
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) | 2.54 | 6.82 | -107.6 | 3 | 2 | 2 | 21 | 188.359 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 5.91 | -30.68 | 2 | 2 | 1 | 20 | 187.351 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 5.76 | -28.54 | 2 | 2 | 1 | 16 | 187.351 | 6 | ↓ |