In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 17 | Yes |
Popular Name: (2R)-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]pentan-2-amine (2R)-N-[(1S)-1-(1,3-benzothiazol…
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) | 3.99 | 7.42 | -37.25 | 2 | 2 | 1 | 29 | 249.403 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.99 | 6.45 | -6.97 | 1 | 2 | 0 | 25 | 248.395 | 5 | ↓ |