In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (1S)-N-ethyl-N'-methyl-1-phenyl-N'-(3-pyridylmethyl)ethane-1,2-diamine (1S)-N-ethyl-N'-methyl-1-phenyl-…
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) | 2.25 | 7.24 | -37.96 | 2 | 3 | 1 | 33 | 270.4 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.25 | 5.63 | -4.27 | 1 | 3 | 0 | 28 | 269.392 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 9.16 | -127.65 | 3 | 3 | 2 | 34 | 271.408 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 7.71 | -86.65 | 3 | 3 | 2 | 34 | 271.408 | 7 | ↓ |