In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2011 | 25 | Yes |
None
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) | 0.83 | 7.59 | -121.27 | 4 | 7 | 2 | 67 | 343.479 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 5.23 | -57.62 | 3 | 7 | 1 | 66 | 342.471 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 7.75 | -184.17 | 5 | 7 | 3 | 68 | 344.487 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 8.26 | -284.73 | 6 | 7 | 4 | 70 | 345.495 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.