| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1R,2R)-N1-ethyl-1-(3-methyl-2-thienyl)-N1-(4-pyridylmethyl)propane-1,2-diamine (1R,2R)-N1-ethyl-1-(3-methyl-2-t…
| 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) | 1.89 | 4.57 | -47.54 | 3 | 3 | 1 | 44 | 290.456 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 4.28 | -5.53 | 2 | 3 | 0 | 42 | 289.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 6.13 | -34.33 | 3 | 3 | 1 | 43 | 290.456 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.89 | 5.03 | -89.16 | 4 | 3 | 2 | 45 | 291.464 | 6 | ↓ |
