In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 19 | 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) | 3.34 | 4.66 | -15.85 | 2 | 4 | 0 | 67 | 323.142 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.34 | 5.67 | -59.06 | 1 | 4 | -1 | 70 | 322.134 | 4 | ↓ |