In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2006 | 26 | 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) | 2.93 | 9.5 | -44.06 | 2 | 5 | 1 | 55 | 373.498 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 8.12 | -13.33 | 1 | 5 | 0 | 51 | 372.49 | 8 | ↓ |