In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2007 | 18 | 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) | 3.44 | 5.3 | -10.72 | 1 | 4 | 0 | 59 | 347.621 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.35 | -37.4 | 0 | 4 | -1 | 61 | 346.613 | 3 | ↓ |