| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | No |
Popular Name: 2-[cyclopropyl(3-thienylmethyl)amino]-4,6-dimethyl-pyridine-3-carbothioamide 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) | 3.06 | 9.31 | -34.71 | 3 | 3 | 1 | 43 | 318.491 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.06 | 8.71 | -11.79 | 2 | 3 | 0 | 42 | 317.483 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
