| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 21 | Yes |
Popular Name: (3S)-3-[4-[(2R)-2-ethylhexyl]-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-[(2R)-2-ethylhexyl]-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) | 3.64 | 8.45 | -97.31 | 4 | 3 | 2 | 35 | 299.547 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.64 | 8.37 | -44.26 | 3 | 3 | 1 | 34 | 298.539 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.64 | 9.46 | -107.02 | 4 | 3 | 2 | 35 | 299.547 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | 9.85 | -210.08 | 5 | 3 | 3 | 37 | 300.555 | 10 | ↓ |
