In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | 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) | 1.68 | 5.81 | -97.53 | 3 | 6 | 2 | 68 | 326.485 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 4.13 | -38.07 | 2 | 6 | 1 | 67 | 325.477 | 8 | ↓ |