In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 8th, 2009 | 32 | No |
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) | 0.89 | 10.24 | -60.57 | 1 | 9 | 1 | 86 | 442.54 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.89 | 7.9 | -23.23 | 0 | 9 | 0 | 84 | 441.532 | 5 | ↓ |