| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (2S)-2-(cyclopropylamino)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]butanamide (2S)-2-(cyclopropylamino)-4-[(3R…
| 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) | 0.19 | 1.52 | -86.94 | 5 | 5 | 2 | 67 | 256.394 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.19 | -1.8 | -6.12 | 3 | 5 | 0 | 62 | 254.378 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 0.61 | -38.67 | 4 | 5 | 1 | 63 | 255.386 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 3.99 | -202.45 | 6 | 5 | 3 | 69 | 257.402 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
