In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | Yes |
Popular Name: (1S,2R)-N2-cyclopropyl-N2-(2-methoxyethyl)-N1-methyl-cycloheptane-1,2-diamine (1S,2R)-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) | 2.37 | 7.11 | -101.78 | 3 | 3 | 2 | 30 | 242.407 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 5.22 | -30.16 | 2 | 3 | 1 | 29 | 241.399 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 4.54 | -1.04 | 1 | 3 | 0 | 24 | 240.391 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 6.36 | -25.64 | 2 | 3 | 1 | 26 | 241.399 | 6 | ↓ |