In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 20 | Yes |
Popular Name: 3-[[(3R)-3-methyl-1-piperidyl]methyl]-4H-benzo[e][1,2,4]thiadiazine 3-[[(3R)-3-methyl-1-piperidyl]me…
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) | 1.99 | 5.46 | -34.18 | 1 | 5 | 0 | 65 | 293.392 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 3.34 | -39.98 | 0 | 5 | -1 | 64 | 292.384 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 5.86 | -57.56 | 2 | 5 | 1 | 63 | 294.4 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 3.73 | -21.27 | 1 | 5 | 0 | 62 | 293.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.