In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2009 | 24 | Yes |
Popular Name: 1-(8-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine 1-(8-chloro-5-oxido-10,11-dihydr…
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) | 3.82 | 7.7 | -41.87 | 1 | 3 | 1 | 25 | 361.918 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 5.34 | -12.43 | 0 | 3 | 0 | 24 | 360.91 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.82 | 7.48 | -35.06 | 1 | 3 | 1 | 25 | 361.918 | 1 | ↓ |