In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 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) | 0.34 | 0.53 | -118.88 | 6 | 4 | 2 | 74 | 220.357 | 11 | ↓ |
Hi High (pH 8-9.5) | 0.34 | 0.16 | -39.12 | 5 | 4 | 1 | 72 | 219.349 | 11 | ↓ |