| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: 2-[cyclopropyl(3-thienylmethyl)amino]-4,6-dimethyl-pyridine-3-carboxamidine 2-[cyclopropyl(3-thienylmethyl)a…
| 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) | 1.65 | 7.02 | -35.22 | 4 | 4 | 1 | 68 | 301.439 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.65 | 6.81 | -6.92 | 3 | 4 | 0 | 66 | 300.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 7.43 | -88.57 | 5 | 4 | 2 | 69 | 302.447 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
