| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 3-[[(2S)-3-(cyclopropylamino)-2-hydroxy-propyl]-isobutyl-amino]propanenitrile 3-[[(2S)-3-(cyclopropylamino)-2-…
| 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) | 0.43 | 5.75 | -48.29 | 3 | 4 | 1 | 68 | 240.371 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 3.76 | -42.93 | 3 | 4 | 1 | 64 | 240.371 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 5.21 | -115.01 | 4 | 4 | 2 | 65 | 241.379 | 9 | ↓ |
