In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2009 | 21 | Yes |
Popular Name: (2S)-2-[3-[cyclohexyl(methyl)amino]propylamino]-N-isobutyl-propanamide (2S)-2-[3-[cyclohexyl(methyl)ami…
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) | 2.86 | 6.69 | -37.23 | 3 | 4 | 1 | 46 | 298.495 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 5.47 | -39.06 | 3 | 4 | 1 | 49 | 298.495 | 9 | ↓ |