| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 27 | Yes |
Popular Name: (2S,3R)-2-amino-3-hydroxy-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]butanamide (2S,3R)-2-amino-3-hydroxy-N-[[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) | -0.74 | 3.94 | -158.32 | 7 | 8 | 3 | 112 | 373.481 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 2.74 | -12.92 | 4 | 8 | 0 | 108 | 370.457 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 3.06 | -50.74 | 5 | 8 | 1 | 109 | 371.465 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | 3.48 | -97.65 | 6 | 8 | 2 | 110 | 372.473 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | 3.28 | -91.17 | 6 | 8 | 2 | 110 | 372.473 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
