| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 18 | Yes |
Popular Name: 4-[5-(3-aminoprop-1-ynyl)thiophene-2-carbonyl]piperazin-2-one 4-[5-(3-aminoprop-1-ynyl)thiophe…
| 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) | -0.01 | 1.12 | -57.08 | 4 | 5 | 1 | 77 | 264.33 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 0.71 | -11.42 | 3 | 5 | 0 | 75 | 263.322 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
