In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 25 | Yes |
Popular Name: 1-(8-chloro-3,7-difluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine 1-(8-chloro-3,7-difluoro-10,11-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) | 4.61 | 11.3 | -45.84 | 1 | 2 | 1 | 8 | 381.899 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 8.84 | -4.22 | 0 | 2 | 0 | 6 | 380.891 | 1 | ↓ |
Mid Mid (pH 6-8) | 4.61 | 10.41 | -44.68 | 1 | 2 | 1 | 8 | 381.899 | 1 | ↓ |