In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 26th, 2010 | 14 | Yes |
Popular Name: N1-[(2S)-2-(dimethylamino)propyl]benzene-1,4-diamine N1-[(2S)-2-(dimethylamino)propyl…
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) | 1.23 | 3.87 | -34.31 | 4 | 3 | 1 | 42 | 194.302 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 1.64 | -2.59 | 3 | 3 | 0 | 41 | 193.294 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 3.73 | -84.8 | 5 | 3 | 2 | 44 | 195.31 | 4 | ↓ |