In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 19 | Yes |
Popular Name: (1R,2S)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-propyl-cycloheptane-1,2-diamine (1R,2S)-N2-cyclopropyl-N2-(2-met…
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) | 3.25 | 6.21 | -31.17 | 2 | 3 | 1 | 29 | 269.453 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 5.4 | -0.83 | 1 | 3 | 0 | 24 | 268.445 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 6.97 | -28.23 | 2 | 3 | 1 | 26 | 269.453 | 8 | ↓ |