In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 32 | 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) | 2.10 | 2.4 | -87.37 | 4 | 8 | 0 | 136 | 480.608 | 13 | ↓ |
Hi High (pH 8-9.5) | 2.10 | 1.07 | -53.61 | 3 | 8 | -1 | 132 | 479.6 | 13 | ↓ |