| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2008 | 18 | Yes |
Popular Name: (2S)-N',N',4-trimethyl-N-[(1R)-1-methylheptyl]pentane-1,2-diamine (2S)-N',N',4-trimethyl-N-[(1R)-1…
| 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) | 5.05 | 8.71 | -34.01 | 2 | 2 | 1 | 20 | 257.486 | 11 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 9.59 | -31.18 | 2 | 2 | 1 | 16 | 257.486 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 10.77 | -118.68 | 3 | 2 | 2 | 21 | 258.494 | 11 | ↓ |
