In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 19 | 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) | 1.35 | 2.76 | -53.12 | 5 | 6 | 1 | 92 | 273.401 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.54 | 1.42 | -28.62 | 4 | 6 | 0 | 98 | 272.393 | 8 | ↓ |