In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (1R,2S)-N2-(2-methoxyethyl)-N1,N2,3-trimethyl-1-phenyl-butane-1,2-diamine (1R,2S)-N2-(2-methoxyethyl)-N1,N…
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) | 2.80 | 7.47 | -105.42 | 3 | 3 | 2 | 30 | 266.429 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 5.56 | -39.1 | 2 | 3 | 1 | 29 | 265.421 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 3.36 | -2.75 | 1 | 3 | 0 | 24 | 264.413 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 7.43 | -27.66 | 2 | 3 | 1 | 26 | 265.421 | 8 | ↓ |