In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N2-cyclopropyl-N1-ethyl-N2-(2-methoxyethyl)cycloheptane-1,2-diamine (1S,2S)-N2-cyclopropyl-N1-ethyl-…
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 | 6.07 | -26.75 | 2 | 3 | 1 | 29 | 255.426 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 4.96 | -0.41 | 1 | 3 | 0 | 24 | 254.418 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 7.22 | -25.35 | 2 | 3 | 1 | 26 | 255.426 | 7 | ↓ |