In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2009 | 40 | 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) | -1.62 | 4.11 | -82.83 | 7 | 13 | 0 | 204 | 568.716 | 15 | ↓ |
Hi High (pH 8-9.5) | -1.62 | 3.77 | -53.14 | 6 | 13 | -1 | 203 | 567.708 | 15 | ↓ |