In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N2-ethyl-N2-(2-methoxyethyl)-N1-methyl-1-phenyl-butane-1,2-diamine (1S,2R)-N2-ethyl-N2-(2-methoxyet…
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) | 2.94 | 7.28 | -102.84 | 3 | 3 | 2 | 30 | 266.429 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 5.58 | -40.48 | 2 | 3 | 1 | 29 | 265.421 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 3.99 | -2.27 | 1 | 3 | 0 | 24 | 264.413 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 5.64 | -26.06 | 2 | 3 | 1 | 26 | 265.421 | 9 | ↓ |