In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2010 | 32 | Yes |
Popular Name: (2R)-N-[3-[benzyl(methyl)amino]propyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide (2R)-N-[3-[benzyl(methyl)amino]p…
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) | 2.78 | 8.53 | -59.49 | 3 | 7 | 1 | 92 | 457.62 | 12 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 7.9 | -69.98 | 2 | 7 | 0 | 94 | 456.612 | 12 | ↓ |