| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-isobutyl-N1-(2-methoxyethyl)-1-(5-methyl-2-thienyl)butane-1,2-diamine (1S,2S)-N1-isobutyl-N1-(2-methox…
| 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) | 2.89 | 6.69 | -30.05 | 3 | 3 | 1 | 40 | 299.504 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.34 | -43.34 | 3 | 3 | 1 | 40 | 299.504 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 5.95 | -2.06 | 2 | 3 | 0 | 38 | 298.496 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 6.98 | -109.16 | 4 | 3 | 2 | 41 | 300.512 | 9 | ↓ |
