In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2011 | 23 | Yes |
Popular Name: 3-[[(3S)-3-(trifluoromethyl)-1-piperidyl]methyl]-2H-benzo[e][1,2,4]thiadiazine 3-[[(3S)-3-(trifluoromethyl)-1-p…
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) | 2.54 | 4.03 | -21.4 | 1 | 5 | 0 | 62 | 347.362 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 3.64 | -37.64 | 0 | 5 | -1 | 64 | 346.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.