| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 22 | No |
Popular Name: (1S)-1-(cyclohexylmethyl)-3,6,9,12,15-pentazacyclopentadecane (1S)-1-(cyclohexylmethyl)-3,6,9,…
| 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) | 0.43 | 0.71 | -95.06 | 7 | 5 | 2 | 69 | 313.534 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 1.44 | -102.96 | 7 | 5 | 2 | 69 | 313.534 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 0.34 | -35.33 | 6 | 5 | 1 | 65 | 312.526 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | -0.11 | -104.02 | 7 | 5 | 2 | 69 | 313.534 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | 2.07 | -212.47 | 8 | 5 | 3 | 74 | 314.542 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | 2.34 | -205.96 | 8 | 5 | 3 | 74 | 314.542 | 2 | ↓ |
