In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 22 | 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) | 5.11 | -0.52 | -7.33 | 1 | 3 | 0 | 46 | 317.454 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.11 | 0.05 | -41.12 | 0 | 3 | -1 | 48 | 316.446 | 3 | ↓ |