In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 14 | 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) | 0.83 | 0.18 | -51.7 | 1 | 5 | -1 | 86 | 234.278 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.83 | -0.24 | -97.68 | 0 | 5 | -2 | 88 | 233.27 | 4 | ↓ |