In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 33 | 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) | 0.07 | -3.89 | -67.61 | 6 | 12 | -1 | 210 | 461.355 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.07 | -3.3 | -123.16 | 5 | 12 | -2 | 213 | 460.347 | 4 | ↓ |