In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 26 | Yes |
Popular Name: 1-(8-ethoxy-3-fluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine 1-(8-ethoxy-3-fluoro-10,11-dihyd…
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) | 4.28 | 11.02 | -42.81 | 1 | 3 | 1 | 17 | 373.517 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.28 | 8.55 | -5.14 | 0 | 3 | 0 | 16 | 372.509 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.28 | 10.09 | -38.39 | 1 | 3 | 1 | 17 | 373.517 | 3 | ↓ |