In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 19th, 2011 | 31 | 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) | -1.10 | -1.79 | -50.46 | 5 | 10 | -1 | 177 | 432.384 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.10 | -0.81 | -97.86 | 4 | 10 | -2 | 180 | 431.376 | 2 | ↓ |
Mid Mid (pH 6-8) | -1.10 | 0.27 | -50.23 | 6 | 10 | 0 | 178 | 433.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.