In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(methylamino)propan-1-one (2S)-1-(2,3-dihydro-1,4-benzothi…
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) | 1.72 | 5.38 | -45.75 | 2 | 3 | 1 | 37 | 237.348 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 4.08 | -8.73 | 1 | 3 | 0 | 32 | 236.34 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.