In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | Yes |
Popular Name: (1R)-1-(3,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[(1S)-1-methylpropyl]ethane-1,2-diamine (1R)-1-(3,5-dimethylphenyl)-N-(2…
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) | 2.75 | 7.2 | -126.01 | 4 | 3 | 2 | 41 | 280.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 6.41 | -40.86 | 3 | 3 | 1 | 40 | 279.448 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.75 | 7.8 | -25.81 | 3 | 3 | 1 | 40 | 279.448 | 8 | ↓ |