In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 18 | Yes |
Popular Name: (1S)-N-[(1S)-1-cyclopropylethyl]-1-(3,4-dimethylphenyl)-N-methyl-ethane-1,2-diamine (1S)-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) | 2.75 | 7.1 | -117.87 | 4 | 2 | 2 | 32 | 248.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 8.09 | -28.02 | 3 | 2 | 1 | 30 | 247.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.75 | 5.84 | -43.03 | 3 | 2 | 1 | 31 | 247.406 | 5 | ↓ |