In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 21 | Yes |
Popular Name: (1R)-1-(4-ethoxyphenyl)-N'-methyl-N'-(3-pyridylmethyl)ethane-1,2-diamine (1R)-1-(4-ethoxyphenyl)-N'-methy…
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) | 0.05 | 4.91 | -46.13 | 3 | 4 | 1 | 53 | 286.399 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.05 | 4.13 | -6.22 | 2 | 4 | 0 | 51 | 285.391 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.05 | 6.86 | -138.74 | 4 | 4 | 2 | 54 | 287.407 | 7 | ↓ |