| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-methyl-1-(5-methyl-2-thienyl)-N1-tetrahydropyran-4-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) | 2.16 | 4.08 | -42.93 | 3 | 3 | 1 | 40 | 283.461 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.16 | 3.75 | -2.64 | 2 | 3 | 0 | 38 | 282.453 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.16 | 5.87 | -113.74 | 4 | 3 | 2 | 41 | 284.469 | 5 | ↓ |
