| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 27 | Yes |
Popular Name: (2R)-2-amino-3-methyl-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]butanamide (2R)-2-amino-3-methyl-N-[[2-[4-(…
| 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) | 0.65 | 7.59 | -162.43 | 6 | 7 | 3 | 91 | 371.509 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 6.93 | -9.52 | 3 | 7 | 0 | 87 | 368.485 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 7.24 | -45.23 | 4 | 7 | 1 | 89 | 369.493 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 7.71 | -92.63 | 5 | 7 | 2 | 90 | 370.501 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 7.11 | -94.75 | 5 | 7 | 2 | 90 | 370.501 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
