In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 24 | No |
Popular Name: 11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbaldehyde 11-(4-methyl-1-piperazinyl)-10,1…
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) | 3.49 | 10.37 | -40.77 | 1 | 3 | 1 | 25 | 339.484 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 7.91 | -8.62 | 0 | 3 | 0 | 24 | 338.476 | 2 | ↓ |
Mid Mid (pH 6-8) | 3.49 | 9.48 | -34.86 | 1 | 3 | 1 | 25 | 339.484 | 2 | ↓ |