In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 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) | 1.33 | 0.95 | -51.43 | 1 | 5 | -1 | 86 | 248.305 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.33 | 0.53 | -98.49 | 0 | 5 | -2 | 88 | 247.297 | 5 | ↓ |