| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 3-[3-amino-4-methyl-N-(3-pyridylmethyl)anilino]propanenitrile 3-[3-amino-4-methyl-N-(3-pyridyl…
| 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) | 1.52 | 6.97 | -10.55 | 2 | 4 | 0 | 66 | 266.348 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 7.43 | -42.51 | 3 | 4 | 1 | 67 | 267.356 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
