In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2009 | 31 | 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) | 2.03 | 9.81 | -18.92 | 1 | 7 | 0 | 86 | 418.497 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.49 | 8.69 | -51.72 | 0 | 7 | -1 | 89 | 417.489 | 4 | ↓ |