In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)methylamino]-N-[(1S)-1-methylpropyl]propanamide 3-[(6-hydroxy-1,3-benzodioxol-5-…
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) | 1.89 | 2.19 | -53.4 | 4 | 6 | 1 | 84 | 295.359 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.89 | 2.84 | -39 | 3 | 6 | 0 | 87 | 294.351 | 7 | ↓ |