| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2011 | 25 | No |
Popular Name: (1S)-1-(1-naphthyl)-3,6,9,12,15-pentazacyclopentadecane (1S)-1-(1-naphthyl)-3,6,9,12,15-…
| 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) | 0.44 | 3 | -103.68 | 7 | 5 | 2 | 69 | 343.519 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 1.65 | -39.24 | 6 | 5 | 1 | 65 | 342.511 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 0.05 | -34.59 | 6 | 5 | 1 | 65 | 342.511 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.44 | 0.35 | -2.67 | 5 | 5 | 0 | 60 | 341.503 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 2.73 | -109.83 | 7 | 5 | 2 | 69 | 343.519 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.44 | 4.1 | -219.36 | 8 | 5 | 3 | 74 | 344.527 | 1 | ↓ |
