In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2009 | 20 | Yes |
Popular Name: 2-[(2S)-2-hydroxy-3-(propylamino)propyl]-1,1-dioxo-1,2-benzothiazol-3-one 2-[(2S)-2-hydroxy-3-(propylamino…
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) | 0.14 | 0.6 | -46.61 | 3 | 6 | 1 | 91 | 299.372 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.14 | -0.73 | -12.96 | 2 | 6 | 0 | 87 | 298.364 | 6 | ↓ |