In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2008 | 28 | No |
Popular Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-oxo-2-(p-tolylamino)ethyl]amino]propanamide (2S)-N-(1,3-benzodioxol-5-ylmeth…
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) | 2.69 | 6.86 | -50.07 | 3 | 7 | 1 | 81 | 384.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 4.65 | -16.09 | 2 | 7 | 0 | 80 | 383.448 | 7 | ↓ |