In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-N-ethyl-1-(4-isopropylphenyl)-N-propyl-ethane-1,2-diamine (1S)-N-ethyl-1-(4-isopropylpheny…
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) | 3.50 | 8 | -122.45 | 4 | 2 | 2 | 32 | 250.43 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 5.96 | -42.83 | 3 | 2 | 1 | 31 | 249.422 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.50 | 7.62 | -28.97 | 3 | 2 | 1 | 30 | 249.422 | 7 | ↓ |