| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 19 | Yes |
Popular Name: (4S)-4-(1,4-diazepan-1-yl)-6,7-dihydro-5H-benzothiophene-4-carboxamide (4S)-4-(1,4-diazepan-1-yl)-6,7-d…
| 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) | 0.70 | 2.49 | -35.71 | 4 | 4 | 1 | 60 | 280.417 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.70 | 1.05 | -5.26 | 3 | 4 | 0 | 58 | 279.409 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.02 | 1.29 | -25.95 | 3 | 4 | 0 | 63 | 279.409 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.70 | 2.29 | -46.45 | 4 | 4 | 1 | 63 | 280.417 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
