In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2010 | 21 | Yes |
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) | -1.87 | -3.03 | -23.4 | 4 | 9 | 0 | 133 | 294.267 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.42 | -5.76 | -49.43 | 3 | 9 | -1 | 137 | 293.259 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.87 | -2.51 | -41.39 | 5 | 9 | 1 | 135 | 295.275 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.