In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 22 | Yes |
Popular Name: (1S,2S)-1-(1,3-benzodioxol-5-yloxy)-3-(methylamino)-1-phenyl-propan-2-ol (1S,2S)-1-(1,3-benzodioxol-5-ylo…
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) | 2.61 | 4.03 | -42.88 | 3 | 5 | 1 | 65 | 302.35 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.61 | 2.88 | -6.85 | 2 | 5 | 0 | 60 | 301.342 | 6 | ↓ |