In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 16 | 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) | 0.38 | 0.39 | -48.71 | 2 | 4 | 1 | 54 | 247.384 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.38 | -0.8 | -10.44 | 1 | 4 | 0 | 49 | 246.376 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | 2.39 | -130.61 | 3 | 4 | 2 | 55 | 248.392 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | 1.21 | -45.86 | 2 | 4 | 1 | 51 | 247.384 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.