In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 23 | Yes |
Popular Name: (1S)-N'-(1,3-benzodioxol-5-ylmethyl)-N,N-dimethyl-1-(p-tolyl)ethane-1,2-diamine (1S)-N'-(1,3-benzodioxol-5-ylmet…
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) | 3.45 | 8.17 | -42.72 | 2 | 4 | 1 | 35 | 313.421 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 7.67 | -48.31 | 2 | 4 | 1 | 38 | 313.421 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.45 | 9.48 | -128.01 | 3 | 4 | 2 | 40 | 314.429 | 6 | ↓ |