| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2010 | 18 | Yes |
Popular Name: (2S)-3-[[(1R,2R)-2-amino-1-(5-methyl-2-furyl)propyl]-ethyl-amino]-2-methyl-propanenitrile (2S)-3-[[(1R,2R)-2-amino-1-(5-me…
| 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) | 1.52 | 6.12 | -122.92 | 4 | 4 | 2 | 69 | 251.374 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 5.8 | -42.1 | 3 | 4 | 1 | 67 | 250.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 4.21 | -46.25 | 3 | 4 | 1 | 68 | 250.366 | 6 | ↓ |
