| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 29 | Yes |
Popular Name: [cyclohexyl-[(2S)-2-hydroxy-3-prop-2-ynoxy-propyl]amino]methylBLAHone [cyclohexyl-[(2S)-2-hydroxy-3-pr…
| 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) | 2.72 | 8.07 | -58.27 | 3 | 6 | 1 | 80 | 416.567 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.17 | 5.53 | -56.11 | 2 | 6 | 0 | 83 | 415.559 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.72 | 6.18 | -18.05 | 2 | 6 | 0 | 78 | 415.559 | 8 | ↓ |
