| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 20 | Yes |
Popular Name: [5-(3-aminoprop-1-ynyl)-2-thienyl]-(4-isopropylpiperazin-1-yl)methanone [5-(3-aminoprop-1-ynyl)-2-thieny…
| 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) | 1.08 | 6.09 | -101.04 | 4 | 4 | 2 | 52 | 293.436 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 5.69 | -41.42 | 3 | 4 | 1 | 51 | 292.428 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 3.91 | -56.44 | 3 | 4 | 1 | 51 | 292.428 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.08 | 3.5 | -7.86 | 2 | 4 | 0 | 50 | 291.42 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
