In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 14 | Yes |
Popular Name: N,N,N'-trimethyl-N'-(3-pyridylmethyl)ethane-1,2-diamine N,N,N'-trimethyl-N'-(3-pyridylme…
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) | 0.54 | 4.23 | -38.76 | 1 | 3 | 1 | 21 | 194.302 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 1.74 | -3.93 | 0 | 3 | 0 | 19 | 193.294 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 4.36 | -37.89 | 1 | 3 | 1 | 21 | 194.302 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 4.8 | -80.92 | 2 | 3 | 2 | 22 | 195.31 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.54 | 6.56 | -112.23 | 2 | 3 | 2 | 22 | 195.31 | 5 | ↓ |