| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 22 | No |
Popular Name: (3R)-3-[4-(5-methylhexoxy)benzyl]pyrrolidine-2,5-quinone (3R)-3-[4-(5-methylhexoxy)benzyl…
| 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) | 3.53 | 7.5 | -12.02 | 1 | 4 | 0 | 55 | 303.402 | 8 | ↓ |
| Ref Reference (pH 7) | 3.53 | 7.49 | -11.31 | 1 | 4 | 0 | 55 | 303.402 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 4.95 | -43.72 | 0 | 4 | -1 | 62 | 302.394 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 4.95 | -42.74 | 0 | 4 | -1 | 62 | 302.394 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
