| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 13 | No |
| 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) | -1.67 | -4.75 | -39.99 | 2 | 7 | -1 | 113 | 202.219 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.67 | -4.53 | -44.85 | 3 | 7 | 0 | 115 | 203.227 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.67 | -4.75 | -12.5 | 3 | 7 | 0 | 115 | 203.227 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -1.67 | -4.52 | -54.09 | 4 | 7 | 1 | 116 | 204.235 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
