| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 16 | Yes |
Popular Name: 1-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1,4-diazepane 1-[(4S)-4,5,6,7-tetrahydrobenzot…
| 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) | 1.90 | 5.47 | -38.4 | 2 | 2 | 1 | 20 | 237.392 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.90 | 4.25 | -1.97 | 1 | 2 | 0 | 15 | 236.384 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 5.87 | -33.42 | 2 | 2 | 1 | 16 | 237.392 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.90 | 7.15 | -112.15 | 3 | 2 | 2 | 21 | 238.4 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
