In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 20 | 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) | 1.84 | -3.41 | -15.83 | 1 | 6 | 0 | 77 | 294.332 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.84 | -2.84 | -52.31 | 0 | 6 | -1 | 79 | 293.324 | 5 | ↓ |