| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 18 | Yes |
Popular Name: 3-[[2-[(2S)-2-aminopropyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile 3-[[2-[(2S)-2-aminopropyl]imidaz…
| 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) | 0.00 | 4.14 | -52.83 | 3 | 5 | 1 | 82 | 242.306 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.00 | 3.88 | -14.6 | 2 | 5 | 0 | 81 | 241.298 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 4.71 | -120.05 | 4 | 5 | 2 | 83 | 243.314 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
