| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-isopropyl-1-(3-methyl-2-thienyl)-N1-(2-thienylmethyl)propane-1,2-diamine (1S,2S)-N1-isopropyl-1-(3-methyl…
| 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) | 3.38 | 6.25 | -41.7 | 3 | 2 | 1 | 31 | 309.524 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 5.94 | -2.01 | 2 | 2 | 0 | 29 | 308.516 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.19 | -26.72 | 3 | 2 | 1 | 30 | 309.524 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.38 | 7.51 | -103.89 | 4 | 2 | 2 | 32 | 310.532 | 6 | ↓ |
