| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 18 | No |
Popular Name: (1S,2R)-N1-methyl-1-(5-methyl-2-thienyl)-N1-[(3R)-tetrahydrothiophen-3-yl]butane-1,2-diamine (1S,2R)-N1-methyl-1-(5-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) | 2.43 | 5.75 | -49.74 | 3 | 2 | 1 | 31 | 285.502 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.22 | -3.76 | 2 | 2 | 0 | 29 | 284.494 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.63 | -116.38 | 4 | 2 | 2 | 32 | 286.51 | 5 | ↓ |
