In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (1R,2R)-N1-ethyl-N2-methyl-N2-[(1S)-1,2,2-trimethylpropyl]cycloheptane-1,2-diamine (1R,2R)-N1-ethyl-N2-methyl-N2-[(…
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) | 4.43 | 8.15 | -27.84 | 2 | 2 | 1 | 16 | 255.47 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 7.99 | -31.85 | 2 | 2 | 1 | 20 | 255.47 | 5 | ↓ |