In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 35 | 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) | 1.72 | 6.1 | -52.47 | 4 | 14 | 1 | 169 | 486.513 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.72 | 3.84 | -21.2 | 3 | 14 | 0 | 168 | 485.505 | 9 | ↓ |