| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: 3-[[(1S)-2-amino-1-(5-methyl-2-furyl)ethyl]-isobutyl-amino]propanenitrile 3-[[(1S)-2-amino-1-(5-methyl-2-f…
| 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) | 0.79 | 6.18 | -140.7 | 4 | 4 | 2 | 69 | 251.374 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 6.32 | -39.88 | 3 | 4 | 1 | 67 | 250.366 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.79 | 5.16 | -54.67 | 3 | 4 | 1 | 68 | 250.366 | 7 | ↓ |
