In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 20 | Yes |
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) | 1.69 | 8.11 | -46.14 | 1 | 4 | 1 | 47 | 275.372 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 5.9 | -7.27 | 0 | 4 | 0 | 45 | 274.364 | 6 | ↓ |