In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2009 | 21 | Yes |
Popular Name: (1S)-2-[3-[cyclohexyl(methyl)amino]propylamino]-1-phenyl-ethanol (1S)-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) | 2.77 | 8.03 | -109.18 | 4 | 3 | 2 | 41 | 292.467 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.77 | 6.62 | -35.33 | 3 | 3 | 1 | 37 | 291.459 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 5.74 | -42.12 | 3 | 3 | 1 | 40 | 291.459 | 8 | ↓ |