In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 16 | Yes |
Popular Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]butan-1-amine N-[(1S)-1-(1,3-benzothiazol-2-yl…
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) | 3.66 | 6.9 | -38.24 | 2 | 2 | 1 | 29 | 235.376 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.66 | 5.62 | -6.21 | 1 | 2 | 0 | 25 | 234.368 | 5 | ↓ |