| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2012 | 22 | No |
Popular Name: (4S)-1-(4-fluorophenyl)-4-isobutyl-4,8-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one (4S)-1-(4-fluorophenyl)-4-isobut…
None
| 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) | 3.24 | 7.18 | -7.17 | 1 | 4 | 0 | 50 | 319.405 | 3 | ↓ |
| Ref Reference (pH 7) | 3.05 | 9.16 | -7.43 | 1 | 4 | 0 | 47 | 319.405 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.