In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (1R)-N'-ethyl-N'-isopropyl-1-(3-methoxyphenyl)ethane-1,2-diamine (1R)-N'-ethyl-N'-isopropyl-1-(3-…
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 | 5.78 | -31.04 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.54 | 4.05 | -41.26 | 3 | 3 | 1 | 40 | 237.367 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.54 | 5.61 | -119.74 | 4 | 3 | 2 | 41 | 238.375 | 6 | ↓ |