| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S,2R)-N1-(2-dimethylaminoethyl)-1-(5-methyl-2-furyl)-N1-propyl-butane-1,2-diamine (1S,2R)-N1-(2-dimethylaminoethyl…
| 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) | 2.05 | 5.47 | -109.01 | 4 | 4 | 2 | 48 | 283.46 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 3.7 | -44.59 | 3 | 4 | 1 | 47 | 282.452 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 6.16 | -105.63 | 4 | 4 | 2 | 48 | 283.46 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.14 | -28.92 | 3 | 4 | 1 | 47 | 282.452 | 9 | ↓ |
