| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 20 | Yes |
Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-3-hydroxy-pyridine-2-carboxamide N-[[4-(2-aminoethyl)phenyl]methy…
| 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) | 0.46 | 3.75 | -87.86 | 5 | 5 | 1 | 94 | 272.328 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 3.29 | -88.18 | 4 | 5 | 0 | 93 | 271.32 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.46 | 2.29 | -54.29 | 5 | 5 | 1 | 90 | 272.328 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
