| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-N1-ethyl-1-(3-methyl-2-thienyl)-N1-propyl-propane-1,2-diamine (1S,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) | 2.66 | 4.62 | -43.91 | 3 | 2 | 1 | 31 | 241.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 6.26 | -29.72 | 3 | 2 | 1 | 30 | 241.424 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 4.4 | -2.08 | 2 | 2 | 0 | 29 | 240.416 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 6.57 | -114.57 | 4 | 2 | 2 | 32 | 242.432 | 6 | ↓ |
