| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 19 | Yes |
Popular Name: N'-[2-[cyclopropyl(3-thienylmethyl)amino]ethyl]-N,N-dimethyl-propane-1,3-diamine N'-[2-[cyclopropyl(3-thienylmeth…
| 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) | 1.43 | 8.15 | -82.06 | 3 | 3 | 2 | 21 | 283.485 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 5.92 | -33.97 | 2 | 3 | 1 | 20 | 282.477 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 4.79 | -41.15 | 2 | 3 | 1 | 23 | 282.477 | 10 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 7.27 | -103.78 | 3 | 3 | 2 | 24 | 283.485 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
