In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 20 | Yes |
Popular Name: (1R)-N-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-N-methyl-ethane-1,2-diamine (1R)-N-[(1S)-1-cyclopropylethyl]…
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) | 1.97 | 5.51 | -115.67 | 4 | 4 | 2 | 51 | 280.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 5.26 | -28.27 | 3 | 4 | 1 | 49 | 279.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 3.72 | -43.5 | 3 | 4 | 1 | 49 | 279.404 | 7 | ↓ |