In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 21 | Yes |
Popular Name: (1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(4-pyridylmethyl)ethane-1,2-diamine (1R)-1-(3-methoxyphenyl)-N,N-dim…
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) | 1.85 | 7.3 | -39.76 | 2 | 4 | 1 | 39 | 286.399 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.85 | 5.07 | -6.02 | 1 | 4 | 0 | 37 | 285.391 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.85 | 7.74 | -88.39 | 3 | 4 | 2 | 40 | 287.407 | 7 | ↓ |