| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 25 | Yes |
Popular Name: N',N'-bis(2-aminoethyl)-N-(5-chloro-2-phenylsulfanyl-phenyl)propane-1,3-diamine N',N'-bis(2-aminoethyl)-N-(5-chl…
| 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) | 2.28 | 4.83 | -108.74 | 7 | 4 | 2 | 71 | 380.989 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 6.14 | -38.65 | 6 | 4 | 1 | 69 | 379.981 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 4.04 | -4.3 | 5 | 4 | 0 | 67 | 378.973 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 6.51 | -122.89 | 7 | 4 | 2 | 70 | 380.989 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 4.43 | -46.52 | 6 | 4 | 1 | 69 | 379.981 | 11 | ↓ |
