In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-1-(2-chloro-4-methoxy-phenyl)-N-methyl-methanamine (1S)-1-(1,3-benzodioxol-5-yl)-1-…
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) | 3.83 | 6.37 | -49.37 | 2 | 4 | 1 | 44 | 306.769 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 5.53 | -6.55 | 1 | 4 | 0 | 40 | 305.761 | 4 | ↓ |