In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 26 | Yes |
Popular Name: 3-[(4-benzyl-1-piperidyl)methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[(4-benzyl-1-piperidyl)methyl]…
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) | 3.42 | 7.33 | -21.7 | 1 | 5 | 0 | 62 | 369.49 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.42 | 6.94 | -40.29 | 0 | 5 | -1 | 64 | 368.482 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 9.5 | -60.27 | 2 | 5 | 1 | 63 | 370.498 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.42 | 9.1 | -35.94 | 1 | 5 | 0 | 65 | 369.49 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.