In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 20 | Yes |
Popular Name: (1S)-N,N-dibutyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine (1S)-N,N-dibutyl-1-(3,4-dimethyl…
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) | 3.16 | 10.11 | -35.15 | 3 | 2 | 1 | 30 | 277.476 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.16 | 10.39 | -135.73 | 4 | 2 | 2 | 32 | 278.484 | 9 | ↓ |