| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 19 | Yes |
Popular Name: 3-[[(1R,2S)-2-amino-1-(5-methyl-2-furyl)propyl]-isobutyl-amino]propanenitrile 3-[[(1R,2S)-2-amino-1-(5-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) | 1.19 | 7.19 | -139.14 | 4 | 4 | 2 | 69 | 265.401 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 7.52 | -43.03 | 3 | 4 | 1 | 67 | 264.393 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.19 | 5.75 | -54.94 | 3 | 4 | 1 | 68 | 264.393 | 7 | ↓ |
