| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2011 | 28 | Yes |
Popular Name: 4-amino-N-(1-benzyl-4-piperidyl)-3-phenyl-isothiazole-5-carboxamide 4-amino-N-(1-benzyl-4-piperidyl)…
| 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) | 3.40 | 9.03 | -43.08 | 4 | 5 | 1 | 72 | 393.536 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 6.8 | -7.2 | 3 | 5 | 0 | 71 | 392.528 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
