| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | No |
Popular Name: 3-(3-aminoprop-1-ynyl)-N-[(3S)-1,1-dioxothian-3-yl]thiophene-2-carboxamide 3-(3-aminoprop-1-ynyl)-N-[(3S)-1…
| 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) | -0.25 | 0.8 | -53.09 | 4 | 5 | 1 | 91 | 313.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | 0.39 | -21.87 | 3 | 5 | 0 | 89 | 312.416 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
