In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-N-[(1S)-1-methylpropyl]ethane-1,2-diamine (1S)-1-(4-ethylphenyl)-N-(2-meth…
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) | 2.84 | 7.06 | -118.28 | 4 | 3 | 2 | 41 | 280.456 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 6.2 | -46.56 | 3 | 3 | 1 | 40 | 279.448 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.38 | -26.66 | 3 | 3 | 1 | 40 | 279.448 | 9 | ↓ |