| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 19 | Yes |
Popular Name: 6-[(R)-amino-(5-bromo-3-pyridyl)methyl]-3H-1,3-benzoxazol-2-one 6-[(R)-amino-(5-bromo-3-pyridyl)…
| 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) | 2.29 | -0.07 | -86.86 | 3 | 5 | 0 | 90 | 320.146 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | -0.4 | -49.11 | 2 | 5 | -1 | 88 | 319.138 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 2.23 | -11.59 | 3 | 5 | 0 | 85 | 320.146 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.83 | 2.55 | -68.26 | 4 | 5 | 1 | 87 | 321.154 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
