In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 15 | 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) | 1.13 | 0.77 | -51.74 | 1 | 5 | -1 | 86 | 248.305 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 0.41 | -98.18 | 0 | 5 | -2 | 88 | 247.297 | 4 | ↓ |