In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 11 | Yes |
Popular Name: (2S)-N'-ethyl-N'-isopropyl-2-methyl-propane-1,3-diamine (2S)-N'-ethyl-N'-isopropyl-2-met…
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) | 0.94 | 3.93 | -96.87 | 4 | 2 | 2 | 32 | 160.305 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 3.55 | -28.3 | 3 | 2 | 1 | 30 | 159.297 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 2.15 | -41.26 | 3 | 2 | 1 | 31 | 159.297 | 5 | ↓ |