| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 14 | Yes |
Popular Name: (2S,3S)-N-butyl-N-ethyl-3-methyl-pentane-1,2-diamine (2S,3S)-N-butyl-N-ethyl-3-methyl…
| 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) | 2.64 | 6.79 | -121.03 | 4 | 2 | 2 | 32 | 202.386 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.64 | 4.94 | -39.02 | 3 | 2 | 1 | 31 | 201.378 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.64 | 6.48 | -30.76 | 3 | 2 | 1 | 30 | 201.378 | 8 | ↓ |
