| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-methyl-1-(3-methyl-2-thienyl)-N1-(4-pyridylmethyl)propane-1,2-diamine (1S,2S)-N1-methyl-1-(3-methyl-2-…
| 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) | 1.52 | 4.75 | -43.77 | 3 | 3 | 1 | 44 | 276.429 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 4.02 | -4.73 | 2 | 3 | 0 | 42 | 275.421 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 5.2 | -95.04 | 4 | 3 | 2 | 45 | 277.437 | 5 | ↓ |
