| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 21 | Yes |
Popular Name: 5-(3-aminoprop-1-ynyl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-(1,3-be…
| 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) | 2.53 | 5.96 | -58.71 | 4 | 4 | 1 | 70 | 314.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 3.7 | -47.37 | 2 | 4 | -1 | 74 | 312.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 5.55 | -10.55 | 3 | 4 | 0 | 68 | 313.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
