In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 26 | 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) | -2.86 | 3.25 | -36.92 | 3 | 8 | 1 | 94 | 378.478 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.68 | 0.69 | -54.5 | 2 | 8 | 0 | 101 | 377.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.