| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 20 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]thiophene-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-methyl-…
| 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) | 1.40 | 5.27 | -55.13 | 3 | 4 | 1 | 57 | 293.412 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.40 | 4.86 | -8.37 | 2 | 4 | 0 | 56 | 292.404 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
