| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-butanamide (2S)-2-(cyclopropylamino)-4-[(3S…
| 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) | 0.08 | 1.71 | -86.21 | 5 | 5 | 2 | 67 | 270.421 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.08 | -1.81 | -6.47 | 3 | 5 | 0 | 62 | 268.405 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 0.59 | -36.66 | 4 | 5 | 1 | 63 | 269.413 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.08 | 4.22 | -187.9 | 6 | 5 | 3 | 69 | 271.429 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
